data_c19470_2md3 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c19470_2md3 _Entry.Title ; Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide:biophysical aspects ; _Entry.Version_type original _Entry.Submission_date 2013-08-29 _Entry.Accession_date 2013-08-29 _Entry.Last_release_date 2013-09-23 _Entry.Original_release_date 2013-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.44 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anirban Bhunia . . . c19470_2md3 2 Subhrangsu Chatterjee . . . c19470_2md3 3 Anirban Ghosh . . . c19470_2md3 4 Jagannnath Jana . . . c19470_2md3 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c19470_2md3 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Peptide . c19470_2md3 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c19470_2md3 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 35 c19470_2md3 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-09-23 2013-08-29 original author . c19470_2md3 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19469 WK10_LPS c19470_2md3 BMRB 19468 WR17_LPS c19470_2md3 BMRB 19471 WG12_LPS c19470_2md3 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c19470_2md3 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide: biophysical aspects' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anirban Bhunia . . . c19470_2md3 1 2 Subhrangsu Chatterjee . . . c19470_2md3 1 3 Anirban Ghosh . . . c19470_2md3 1 4 Jagannnath Jana . . . c19470_2md3 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c19470_2md3 _Assembly.ID 1 _Assembly.Name KR8_LPS _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KR8_LPS 1 $entity A . yes native no no . . . c19470_2md3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c19470_2md3 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code KFGKNKSR _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 968.164 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . c19470_2md3 1 2 . PHE . c19470_2md3 1 3 . GLY . c19470_2md3 1 4 . LYS . c19470_2md3 1 5 . ASN . c19470_2md3 1 6 . LYS . c19470_2md3 1 7 . SER . c19470_2md3 1 8 . ARG . c19470_2md3 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 c19470_2md3 1 . PHE 2 2 c19470_2md3 1 . GLY 3 3 c19470_2md3 1 . LYS 4 4 c19470_2md3 1 . ASN 5 5 c19470_2md3 1 . LYS 6 6 c19470_2md3 1 . SER 7 7 c19470_2md3 1 . ARG 8 8 c19470_2md3 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c19470_2md3 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19470_2md3 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c19470_2md3 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19470_2md3 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c19470_2md3 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KR8_LPS 'natural abundance' . . 1 $entity . . 1 . . mM . . . . c19470_2md3 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . c19470_2md3 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . c19470_2md3 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c19470_2md3 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K c19470_2md3 1 pH 4.5 . pH c19470_2md3 1 pressure 1 . atm c19470_2md3 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c19470_2md3 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c19470_2md3 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c19470_2md3 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c19470_2md3 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c19470_2md3 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . c19470_2md3 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c19470_2md3 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19470_2md3 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c19470_2md3 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c19470_2md3 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . c19470_2md3 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c19470_2md3 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' 1 $sample_1 . c19470_2md3 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.310 0.003 . 1 . . . A 1 LYS HA . c19470_2md3 1 2 . 1 1 1 1 LYS H H 1 8.342 0.002 . 1 . . . A 1 LYS H1 . c19470_2md3 1 3 . 1 1 2 2 PHE H H 1 8.253 0.001 . 1 . . . A 2 PHE H . c19470_2md3 1 4 . 1 1 2 2 PHE HA H 1 4.143 0.002 . 1 . . . A 2 PHE HA . c19470_2md3 1 5 . 1 1 2 2 PHE HB2 H 1 3.000 0.002 . 2 . . . A 2 PHE HB2 . c19470_2md3 1 6 . 1 1 2 2 PHE HB3 H 1 3.000 0.002 . 2 . . . A 2 PHE HB3 . c19470_2md3 1 7 . 1 1 3 3 GLY H H 1 8.310 0.002 . 1 . . . A 3 GLY H . c19470_2md3 1 8 . 1 1 3 3 GLY HA2 H 1 3.950 -0.001 . 2 . . . A 3 GLY HA2 . c19470_2md3 1 9 . 1 1 3 3 GLY HA3 H 1 3.950 -0.001 . 2 . . . A 3 GLY HA3 . c19470_2md3 1 10 . 1 1 4 4 LYS H H 1 8.278 -0.003 . 1 . . . A 4 LYS H . c19470_2md3 1 11 . 1 1 4 4 LYS HA H 1 4.303 -0.001 . 1 . . . A 4 LYS HA . c19470_2md3 1 12 . 1 1 4 4 LYS HB2 H 1 1.840 -0.002 . 2 . . . A 4 LYS HB2 . c19470_2md3 1 13 . 1 1 4 4 LYS HB3 H 1 1.840 -0.002 . 2 . . . A 4 LYS HB3 . c19470_2md3 1 14 . 1 1 4 4 LYS HG2 H 1 1.433 -0.002 . 2 . . . A 4 LYS HG2 . c19470_2md3 1 15 . 1 1 4 4 LYS HG3 H 1 1.433 -0.002 . 2 . . . A 4 LYS HG3 . c19470_2md3 1 16 . 1 1 4 4 LYS HD2 H 1 1.768 0.002 . 2 . . . A 4 LYS HD2 . c19470_2md3 1 17 . 1 1 4 4 LYS HD3 H 1 1.768 0.002 . 2 . . . A 4 LYS HD3 . c19470_2md3 1 18 . 1 1 5 5 ASN H H 1 8.494 -0.003 . 1 . . . A 5 ASN H . c19470_2md3 1 19 . 1 1 5 5 ASN HA H 1 4.687 0.002 . 1 . . . A 5 ASN HA . c19470_2md3 1 20 . 1 1 5 5 ASN HB2 H 1 2.803 0.003 . 2 . . . A 5 ASN HB2 . c19470_2md3 1 21 . 1 1 5 5 ASN HB3 H 1 2.803 0.003 . 2 . . . A 5 ASN HB3 . c19470_2md3 1 22 . 1 1 6 6 LYS H H 1 8.326 0.001 . 1 . . . A 6 LYS H . c19470_2md3 1 23 . 1 1 6 6 LYS HA H 1 4.306 0.003 . 1 . . . A 6 LYS HA . c19470_2md3 1 24 . 1 1 6 6 LYS HB2 H 1 1.866 0.003 . 2 . . . A 6 LYS HB2 . c19470_2md3 1 25 . 1 1 6 6 LYS HB3 H 1 1.866 0.003 . 2 . . . A 6 LYS HB3 . c19470_2md3 1 26 . 1 1 6 6 LYS HD2 H 1 1.771 0.005 . 2 . . . A 6 LYS HD2 . c19470_2md3 1 27 . 1 1 6 6 LYS HD3 H 1 1.771 0.005 . 2 . . . A 6 LYS HD3 . c19470_2md3 1 28 . 1 1 7 7 SER H H 1 8.358 -0.002 . 1 . . . A 7 SER H . c19470_2md3 1 29 . 1 1 7 7 SER HA H 1 4.429 0.003 . 1 . . . A 7 SER HA . c19470_2md3 1 30 . 1 1 7 7 SER HB2 H 1 3.950 0.002 . 2 . . . A 7 SER HB2 . c19470_2md3 1 31 . 1 1 7 7 SER HB3 H 1 3.950 0.002 . 2 . . . A 7 SER HB3 . c19470_2md3 1 32 . 1 1 8 8 ARG H H 1 8.381 0.003 . 1 . . . A 8 ARG H . c19470_2md3 1 33 . 1 1 8 8 ARG HA H 1 4.321 0.002 . 1 . . . A 8 ARG HA . c19470_2md3 1 34 . 1 1 8 8 ARG HB2 H 1 1.761 -0.005 . 2 . . . A 8 ARG HB2 . c19470_2md3 1 35 . 1 1 8 8 ARG HB3 H 1 1.761 -0.005 . 2 . . . A 8 ARG HB3 . c19470_2md3 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c19470_2md3 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c19470_2md3 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c19470_2md3 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c19470_2md3 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 LYS C C 2.628 -1.397 -1.549 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 1 . 2 . 1 1 1 LYS CA C 2.094 -0.002 -1.241 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 1 . 3 . 1 1 1 LYS CB C 3.255 0.991 -1.149 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 1 . 4 . 1 1 1 LYS CD C 2.627 2.886 0.376 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 1 . 5 . 1 1 1 LYS CE C 2.078 4.302 0.457 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 1 . 6 . 1 1 1 LYS CG C 2.810 2.441 -1.065 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 1 . 7 . 1 1 1 LYS H1 H 1.806 0.000 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 1 . 8 . 1 1 1 LYS HA H 1.434 0.303 -2.039 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 1 . 9 . 1 1 1 LYS HB2 H 3.839 0.764 -0.269 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 1 . 10 . 1 1 1 LYS HB3 H 3.880 0.878 -2.024 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 1 . 11 . 1 1 1 LYS HD2 H 1.937 2.215 0.866 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 1 . 12 . 1 1 1 LYS HD3 H 3.584 2.851 0.879 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 1 . 13 . 1 1 1 LYS HE2 H 2.872 4.965 0.762 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 1 . 14 . 1 1 1 LYS HE3 H 1.722 4.592 -0.520 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 1 . 15 . 1 1 1 LYS HG2 H 3.559 3.065 -1.531 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 1 . 16 . 1 1 1 LYS HG3 H 1.871 2.551 -1.588 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 1 . 17 . 1 1 1 LYS HZ1 H 0.941 3.571 2.050 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 1 . 18 . 1 1 1 LYS HZ2 H 0.050 4.470 0.928 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 1 . 19 . 1 1 1 LYS HZ3 H 1.074 5.257 2.020 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 1 . 20 . 1 1 1 LYS N N 1.329 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 1 . 21 . 1 1 1 LYS NZ N 0.957 4.407 1.432 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 1 . 22 . 1 1 1 LYS O O 3.657 -1.547 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 1 . 23 . 1 1 2 PHE C C 1.278 -4.541 -2.123 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 1 . 24 . 1 1 2 PHE CA C 2.323 -3.798 -1.296 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 1 . 25 . 1 1 2 PHE CB C 2.535 -4.514 0.040 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 1 . 26 . 1 1 2 PHE CD1 C 4.837 -3.572 0.375 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 1 . 27 . 1 1 2 PHE CD2 C 4.485 -5.889 0.816 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 1 . 28 . 1 1 2 PHE CE1 C 6.168 -3.706 0.722 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 1 . 29 . 1 1 2 PHE CE2 C 5.816 -6.029 1.164 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 1 . 30 . 1 1 2 PHE CG C 3.982 -4.662 0.418 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 1 . 31 . 1 1 2 PHE CZ C 6.658 -4.935 1.118 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 1 . 32 . 1 1 2 PHE H H 1.109 -2.231 -0.553 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 1 . 33 . 1 1 2 PHE HA H 3.255 -3.787 -1.841 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 1 . 34 . 1 1 2 PHE HB2 H 2.044 -3.955 0.822 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 1 . 35 . 1 1 2 PHE HB3 H 2.103 -5.502 -0.017 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 1 . 36 . 1 1 2 PHE HD1 H 4.455 -2.610 0.067 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 1 . 37 . 1 1 2 PHE HD2 H 3.827 -6.746 0.853 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 1 . 38 . 1 1 2 PHE HE1 H 6.825 -2.849 0.685 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 1 . 39 . 1 1 2 PHE HE2 H 6.195 -6.991 1.473 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 1 . 40 . 1 1 2 PHE HZ H 7.698 -5.042 1.389 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 1 . 41 . 1 1 2 PHE N N 1.921 -2.415 -1.071 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 1 . 42 . 1 1 2 PHE O O 1.605 -5.449 -2.887 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 1 . 43 . 1 1 3 GLY C C -1.525 -3.956 -3.880 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 1 . 44 . 1 1 3 GLY CA C -1.057 -4.787 -2.702 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 1 . 45 . 1 1 3 GLY H H -0.184 -3.419 -1.342 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 1 . 46 . 1 1 3 GLY HA2 H -0.711 -5.743 -3.065 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 1 . 47 . 1 1 3 GLY HA3 H -1.891 -4.946 -2.035 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 1 . 48 . 1 1 3 GLY N N 0.018 -4.148 -1.965 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 1 . 49 . 1 1 3 GLY O O -2.641 -4.132 -4.370 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 1 . 50 . 1 1 4 LYS C C -0.897 -2.944 -6.781 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 1 . 51 . 1 1 4 LYS CA C -1.004 -2.182 -5.464 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 1 . 52 . 1 1 4 LYS CB C -0.077 -0.965 -5.491 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 1 . 53 . 1 1 4 LYS CD C 1.083 -0.604 -7.690 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 1 . 54 . 1 1 4 LYS CE C 0.653 -0.828 -9.131 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 1 . 55 . 1 1 4 LYS CG C -0.095 -0.215 -6.812 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 1 . 56 . 1 1 4 LYS H H 0.203 -2.952 -3.904 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 1 . 57 . 1 1 4 LYS HA H -2.022 -1.847 -5.337 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 1 . 58 . 1 1 4 LYS HB2 H -0.377 -0.282 -4.709 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 1 . 59 . 1 1 4 LYS HB3 H 0.935 -1.293 -5.301 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 1 . 60 . 1 1 4 LYS HD2 H 1.817 0.188 -7.663 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 1 . 61 . 1 1 4 LYS HD3 H 1.520 -1.516 -7.307 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 1 . 62 . 1 1 4 LYS HE2 H -0.383 -1.127 -9.142 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 1 . 63 . 1 1 4 LYS HE3 H 0.766 0.099 -9.675 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 1 . 64 . 1 1 4 LYS HG2 H -1.011 -0.447 -7.334 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 1 . 65 . 1 1 4 LYS HG3 H -0.050 0.846 -6.614 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 1 . 66 . 1 1 4 LYS HZ1 H 1.995 -1.475 -10.596 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 1 . 67 . 1 1 4 LYS HZ2 H 0.852 -2.641 -10.150 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 1 . 68 . 1 1 4 LYS HZ3 H 2.147 -2.288 -9.120 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 1 . 69 . 1 1 4 LYS N N -0.672 -3.045 -4.336 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 1 . 70 . 1 1 4 LYS NZ N 1.469 -1.882 -9.796 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 1 . 71 . 1 1 4 LYS O O -1.563 -2.606 -7.759 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 1 . 72 . 1 1 5 ASN C C -0.706 -6.056 -7.933 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 1 . 73 . 1 1 5 ASN CA C 0.135 -4.784 -7.996 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 1 . 74 . 1 1 5 ASN CB C 1.612 -5.143 -8.162 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 1 . 75 . 1 1 5 ASN CG C 1.920 -5.703 -9.538 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 1 . 76 . 1 1 5 ASN H H 0.446 -4.194 -5.987 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 1 . 77 . 1 1 5 ASN HA H -0.182 -4.199 -8.846 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 1 . 78 . 1 1 5 ASN HB2 H 2.211 -4.256 -8.014 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 1 . 79 . 1 1 5 ASN HB3 H 1.883 -5.883 -7.424 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 1 . 80 . 1 1 5 ASN HD21 H 2.822 -7.277 -8.722 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 1 . 81 . 1 1 5 ASN HD22 H 2.788 -7.242 -10.449 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 1 . 82 . 1 1 5 ASN N N -0.057 -3.974 -6.799 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 1 . 83 . 1 1 5 ASN ND2 N 2.576 -6.857 -9.573 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 1 . 84 . 1 1 5 ASN O O -0.363 -7.070 -8.540 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 1 . 85 . 1 1 5 ASN OD1 O 1.571 -5.105 -10.556 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 1 . 86 . 1 1 6 LYS C C -4.057 -6.853 -7.689 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 1 . 87 . 1 1 6 LYS CA C -2.700 -7.138 -7.052 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 1 . 88 . 1 1 6 LYS CB C -2.882 -7.489 -5.574 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 1 . 89 . 1 1 6 LYS CD C -0.857 -8.954 -5.326 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 1 . 90 . 1 1 6 LYS CE C -0.054 -9.610 -4.213 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 1 . 91 . 1 1 6 LYS CG C -1.573 -7.707 -4.835 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 1 . 92 . 1 1 6 LYS H H -2.029 -5.156 -6.734 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 1 . 93 . 1 1 6 LYS HA H -2.247 -7.976 -7.559 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 1 . 94 . 1 1 6 LYS HB2 H -3.416 -6.685 -5.088 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 1 . 95 . 1 1 6 LYS HB3 H -3.468 -8.394 -5.500 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 1 . 96 . 1 1 6 LYS HD2 H -1.589 -9.660 -5.690 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 1 . 97 . 1 1 6 LYS HD3 H -0.187 -8.682 -6.129 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 1 . 98 . 1 1 6 LYS HE2 H 0.651 -10.298 -4.653 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 1 . 99 . 1 1 6 LYS HE3 H 0.480 -8.843 -3.673 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 1 . 100 . 1 1 6 LYS HG2 H -0.933 -6.852 -4.994 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 1 . 101 . 1 1 6 LYS HG3 H -1.780 -7.813 -3.779 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 1 . 102 . 1 1 6 LYS HZ1 H -0.399 -11.137 -2.829 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 1 . 103 . 1 1 6 LYS HZ2 H -1.752 -10.741 -3.765 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 1 . 104 . 1 1 6 LYS HZ3 H -1.261 -9.717 -2.512 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 1 . 105 . 1 1 6 LYS N N -1.809 -5.993 -7.194 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 1 . 106 . 1 1 6 LYS NZ N -0.927 -10.353 -3.263 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 1 . 107 . 1 1 6 LYS O O -5.079 -7.391 -7.262 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 1 . 108 . 1 1 7 SER C C -5.494 -6.522 -10.638 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 1 . 109 . 1 1 7 SER CA C -5.291 -5.647 -9.405 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 1 . 110 . 1 1 7 SER CB C -5.263 -4.172 -9.812 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 1 . 111 . 1 1 7 SER H H -3.212 -5.608 -9.005 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 1 . 112 . 1 1 7 SER HA H -6.114 -5.808 -8.725 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 1 . 113 . 1 1 7 SER HB2 H -4.315 -3.741 -9.528 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 1 . 114 . 1 1 7 SER HB3 H -5.387 -4.094 -10.882 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 1 . 115 . 1 1 7 SER HG H -7.033 -3.333 -9.789 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 1 . 116 . 1 1 7 SER N N -4.059 -6.005 -8.712 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 1 . 117 . 1 1 7 SER O O -6.420 -7.331 -10.693 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 1 . 118 . 1 1 7 SER OG O -6.302 -3.448 -9.177 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 1 . 119 . 1 1 8 ARG C C -4.637 -8.622 -12.569 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 1 . 120 . 1 1 8 ARG CA C -4.705 -7.126 -12.860 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 1 . 121 . 1 1 8 ARG CB C -3.576 -6.729 -13.813 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 1 . 122 . 1 1 8 ARG CD C -4.709 -5.179 -15.435 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 1 . 123 . 1 1 8 ARG CG C -3.682 -5.300 -14.320 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 1 . 124 . 1 1 8 ARG CZ C -4.778 -2.764 -15.890 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 1 . 125 . 1 1 8 ARG H H -3.905 -5.693 -11.524 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 1 . 126 . 1 1 8 ARG HA H -5.653 -6.905 -13.327 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 1 . 127 . 1 1 8 ARG HB2 H -2.632 -6.836 -13.299 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 1 . 128 . 1 1 8 ARG HB3 H -3.591 -7.392 -14.665 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 1 . 129 . 1 1 8 ARG HD2 H -4.211 -5.327 -16.382 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 1 . 130 . 1 1 8 ARG HD3 H -5.459 -5.943 -15.299 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 1 . 131 . 1 1 8 ARG HE H -6.273 -3.817 -15.093 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 1 . 132 . 1 1 8 ARG HG2 H -3.977 -4.658 -13.502 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 1 . 133 . 1 1 8 ARG HG3 H -2.718 -4.988 -14.694 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 1 . 134 . 1 1 8 ARG HH11 H -3.045 -3.673 -16.389 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 1 . 135 . 1 1 8 ARG HH12 H -3.107 -1.971 -16.705 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 1 . 136 . 1 1 8 ARG HH21 H -6.367 -1.575 -15.504 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 1 . 137 . 1 1 8 ARG HH22 H -4.997 -0.778 -16.200 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 1 . 138 . 1 1 8 ARG N N -4.622 -6.353 -11.626 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 1 . 139 . 1 1 8 ARG NE N -5.359 -3.871 -15.441 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 1 . 140 . 1 1 8 ARG NH1 N -3.542 -2.806 -16.367 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 1 . 141 . 1 1 8 ARG NH2 N -5.435 -1.611 -15.862 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 1 . 142 . 1 1 8 ARG O O -3.575 -9.153 -12.241 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 2 . 143 . 1 1 1 LYS C C 2.294 -1.547 -2.880 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 2 . 144 . 1 1 1 LYS CA C 2.484 -0.283 -2.048 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 2 . 145 . 1 1 1 LYS CB C 3.227 0.774 -2.869 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 2 . 146 . 1 1 1 LYS CD C 4.228 2.495 -1.337 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 2 . 147 . 1 1 1 LYS CE C 3.693 2.864 0.038 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 2 . 148 . 1 1 1 LYS CG C 3.101 2.180 -2.307 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 2 . 149 . 1 1 1 LYS H1 H 2.849 -0.269 0.037 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 2 . 150 . 1 1 1 LYS HA H 1.514 0.103 -1.774 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 2 . 151 . 1 1 1 LYS HB2 H 4.275 0.515 -2.904 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 2 . 152 . 1 1 1 LYS HB3 H 2.831 0.775 -3.875 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 2 . 153 . 1 1 1 LYS HD2 H 4.863 1.627 -1.242 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 2 . 154 . 1 1 1 LYS HD3 H 4.804 3.324 -1.725 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 2 . 155 . 1 1 1 LYS HE2 H 3.214 3.829 -0.024 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 2 . 156 . 1 1 1 LYS HE3 H 2.968 2.122 0.339 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 2 . 157 . 1 1 1 LYS HG2 H 3.134 2.888 -3.122 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 2 . 158 . 1 1 1 LYS HG3 H 2.157 2.267 -1.789 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 2 . 159 . 1 1 1 LYS HZ1 H 4.471 2.456 1.933 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 2 . 160 . 1 1 1 LYS HZ2 H 5.011 3.916 1.270 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 2 . 161 . 1 1 1 LYS HZ3 H 5.630 2.449 0.700 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 2 . 162 . 1 1 1 LYS N N 3.215 -0.574 -0.820 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 2 . 163 . 1 1 1 LYS NZ N 4.777 2.925 1.057 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 2 . 164 . 1 1 1 LYS O O 2.285 -1.497 -4.110 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 2 . 165 . 1 1 2 PHE C C 0.495 -4.410 -2.784 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 2 . 166 . 1 1 2 PHE CA C 1.949 -3.956 -2.879 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 2 . 167 . 1 1 2 PHE CB C 2.868 -5.020 -2.274 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 2 . 168 . 1 1 2 PHE CD1 C 5.169 -4.485 -3.119 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 2 . 169 . 1 1 2 PHE CD2 C 4.097 -6.457 -3.924 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 2 . 170 . 1 1 2 PHE CE1 C 6.276 -4.764 -3.898 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 2 . 171 . 1 1 2 PHE CE2 C 5.201 -6.741 -4.705 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 2 . 172 . 1 1 2 PHE CG C 4.069 -5.327 -3.123 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 2 . 173 . 1 1 2 PHE CZ C 6.292 -5.894 -4.693 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 2 . 174 . 1 1 2 PHE H H 2.156 -2.655 -1.222 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 2 . 175 . 1 1 2 PHE HA H 2.204 -3.821 -3.918 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 2 . 176 . 1 1 2 PHE HB2 H 3.220 -4.678 -1.313 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 2 . 177 . 1 1 2 PHE HB3 H 2.309 -5.935 -2.144 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 2 . 178 . 1 1 2 PHE HD1 H 5.158 -3.601 -2.497 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 2 . 179 . 1 1 2 PHE HD2 H 3.245 -7.120 -3.936 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 2 . 180 . 1 1 2 PHE HE1 H 7.127 -4.099 -3.886 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 2 . 181 . 1 1 2 PHE HE2 H 5.211 -7.625 -5.326 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 2 . 182 . 1 1 2 PHE HZ H 7.156 -6.114 -5.301 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 2 . 183 . 1 1 2 PHE N N 2.140 -2.679 -2.202 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 2 . 184 . 1 1 2 PHE O O 0.007 -5.148 -3.638 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 2 . 185 . 1 1 3 GLY C C -2.477 -3.804 -2.651 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 2 . 186 . 1 1 3 GLY CA C -1.582 -4.332 -1.548 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 2 . 187 . 1 1 3 GLY H H 0.250 -3.375 -1.087 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 2 . 188 . 1 1 3 GLY HA2 H -1.656 -5.409 -1.522 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 2 . 189 . 1 1 3 GLY HA3 H -1.923 -3.935 -0.603 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 2 . 190 . 1 1 3 GLY N N -0.191 -3.962 -1.737 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 2 . 191 . 1 1 3 GLY O O -3.378 -4.502 -3.118 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 2 . 192 . 1 1 4 LYS C C -2.626 -2.487 -5.493 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 2 . 193 . 1 1 4 LYS CA C -3.022 -1.944 -4.124 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 2 . 194 . 1 1 4 LYS CB C -2.844 -0.425 -4.094 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 2 . 195 . 1 1 4 LYS CD C -2.163 0.574 -6.296 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 2 . 196 . 1 1 4 LYS CE C -2.505 0.226 -7.737 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 2 . 197 . 1 1 4 LYS CG C -3.319 0.268 -5.360 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 2 . 198 . 1 1 4 LYS H H -1.500 -2.060 -2.658 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 2 . 199 . 1 1 4 LYS HA H -4.060 -2.180 -3.944 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 2 . 200 . 1 1 4 LYS HB2 H -3.399 -0.025 -3.259 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 2 . 201 . 1 1 4 LYS HB3 H -1.795 -0.200 -3.959 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 2 . 202 . 1 1 4 LYS HD2 H -1.932 1.627 -6.238 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 2 . 203 . 1 1 4 LYS HD3 H -1.301 -0.003 -5.991 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 2 . 204 . 1 1 4 LYS HE2 H -2.059 -0.727 -7.979 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 2 . 205 . 1 1 4 LYS HE3 H -3.579 0.155 -7.830 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 2 . 206 . 1 1 4 LYS HG2 H -4.021 -0.375 -5.869 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 2 . 207 . 1 1 4 LYS HG3 H -3.807 1.195 -5.090 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 2 . 208 . 1 1 4 LYS HZ1 H -1.611 2.064 -8.169 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 2 . 209 . 1 1 4 LYS HZ2 H -2.779 1.587 -9.298 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 2 . 210 . 1 1 4 LYS HZ3 H -1.257 0.848 -9.292 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 2 . 211 . 1 1 4 LYS N N -2.232 -2.567 -3.069 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 2 . 212 . 1 1 4 LYS NZ N -2.003 1.253 -8.690 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 2 . 213 . 1 1 4 LYS O O -3.429 -2.493 -6.425 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 2 . 214 . 1 1 5 ASN C C -0.683 -4.998 -6.760 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 2 . 215 . 1 1 5 ASN CA C -0.880 -3.489 -6.862 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 2 . 216 . 1 1 5 ASN CB C 0.440 -2.816 -7.243 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 2 . 217 . 1 1 5 ASN CG C 0.854 -3.120 -8.670 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 2 . 218 . 1 1 5 ASN H H -0.788 -2.911 -4.828 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 2 . 219 . 1 1 5 ASN HA H -1.612 -3.284 -7.629 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 2 . 220 . 1 1 5 ASN HB2 H 0.335 -1.745 -7.140 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 2 . 221 . 1 1 5 ASN HB3 H 1.219 -3.162 -6.580 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 2 . 222 . 1 1 5 ASN HD21 H 2.770 -3.142 -8.136 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 2 . 223 . 1 1 5 ASN HD22 H 2.452 -3.445 -9.807 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 2 . 224 . 1 1 5 ASN N N -1.382 -2.943 -5.607 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 2 . 225 . 1 1 5 ASN ND2 N 2.157 -3.249 -8.893 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 2 . 226 . 1 1 5 ASN O O 0.189 -5.568 -7.416 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 2 . 227 . 1 1 5 ASN OD1 O 0.012 -3.237 -9.560 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 2 . 228 . 1 1 6 LYS C C -1.824 -7.823 -7.014 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 2 . 229 . 1 1 6 LYS CA C -1.418 -7.084 -5.743 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 2 . 230 . 1 1 6 LYS CB C -2.314 -7.518 -4.580 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 2 . 231 . 1 1 6 LYS CD C -4.499 -8.361 -5.488 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 2 . 232 . 1 1 6 LYS CE C -5.893 -8.575 -4.917 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 2 . 233 . 1 1 6 LYS CG C -3.785 -7.211 -4.798 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 2 . 234 . 1 1 6 LYS H H -2.175 -5.131 -5.435 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 2 . 235 . 1 1 6 LYS HA H -0.394 -7.331 -5.508 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 2 . 236 . 1 1 6 LYS HB2 H -2.208 -8.584 -4.438 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 2 . 237 . 1 1 6 LYS HB3 H -1.991 -7.010 -3.683 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 2 . 238 . 1 1 6 LYS HD2 H -4.585 -8.141 -6.542 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 2 . 239 . 1 1 6 LYS HD3 H -3.922 -9.265 -5.353 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 2 . 240 . 1 1 6 LYS HE2 H -5.803 -8.848 -3.876 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 2 . 241 . 1 1 6 LYS HE3 H -6.447 -7.652 -5.000 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 2 . 242 . 1 1 6 LYS HG2 H -4.253 -7.033 -3.841 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 2 . 243 . 1 1 6 LYS HG3 H -3.871 -6.325 -5.413 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 2 . 244 . 1 1 6 LYS HZ1 H -5.992 -10.447 -5.838 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 2 . 245 . 1 1 6 LYS HZ2 H -7.004 -9.285 -6.537 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 2 . 246 . 1 1 6 LYS HZ3 H -7.422 -9.991 -5.058 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 2 . 247 . 1 1 6 LYS N N -1.500 -5.640 -5.932 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 2 . 248 . 1 1 6 LYS NZ N -6.629 -9.650 -5.638 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 2 . 249 . 1 1 6 LYS O O -1.377 -8.943 -7.262 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 2 . 250 . 1 1 7 SER C C -1.963 -8.154 -9.963 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 2 . 251 . 1 1 7 SER CA C -3.138 -7.786 -9.063 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 2 . 252 . 1 1 7 SER CB C -4.075 -6.824 -9.796 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 2 . 253 . 1 1 7 SER H H -2.992 -6.296 -7.565 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 2 . 254 . 1 1 7 SER HA H -3.682 -8.685 -8.815 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 2 . 255 . 1 1 7 SER HB2 H -3.866 -5.813 -9.481 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 2 . 256 . 1 1 7 SER HB3 H -3.913 -6.910 -10.861 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 2 . 257 . 1 1 7 SER HG H -5.791 -7.672 -10.212 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 2 . 258 . 1 1 7 SER N N -2.671 -7.188 -7.818 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 2 . 259 . 1 1 7 SER O O -1.988 -9.176 -10.649 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 2 . 260 . 1 1 7 SER OG O -5.432 -7.119 -9.514 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 2 . 261 . 1 1 8 ARG C C 1.251 -8.438 -10.035 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 2 . 262 . 1 1 8 ARG CA C 0.252 -7.550 -10.770 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 2 . 263 . 1 1 8 ARG CB C 0.913 -6.221 -11.143 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 2 . 264 . 1 1 8 ARG CD C -0.666 -5.537 -12.974 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 2 . 265 . 1 1 8 ARG CG C 0.774 -5.863 -12.613 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 2 . 266 . 1 1 8 ARG CZ C -1.867 -4.086 -14.554 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 2 . 267 . 1 1 8 ARG H H -0.971 -6.516 -9.386 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 2 . 268 . 1 1 8 ARG HA H -0.061 -8.051 -11.673 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 2 . 269 . 1 1 8 ARG HB2 H 0.462 -5.432 -10.559 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 2 . 270 . 1 1 8 ARG HB3 H 1.965 -6.278 -10.906 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 2 . 271 . 1 1 8 ARG HD2 H -1.115 -6.405 -13.432 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 2 . 272 . 1 1 8 ARG HD3 H -1.202 -5.290 -12.069 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 2 . 273 . 1 1 8 ARG HE H 0.049 -3.874 -14.043 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 2 . 274 . 1 1 8 ARG HG2 H 1.391 -5.002 -12.824 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 2 . 275 . 1 1 8 ARG HG3 H 1.105 -6.700 -13.210 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 2 . 276 . 1 1 8 ARG HH11 H -2.974 -5.577 -13.759 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 2 . 277 . 1 1 8 ARG HH12 H -3.808 -4.546 -14.875 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 2 . 278 . 1 1 8 ARG HH21 H -1.038 -2.511 -15.513 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 2 . 279 . 1 1 8 ARG HH22 H -2.706 -2.804 -15.873 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 2 . 280 . 1 1 8 ARG N N -0.933 -7.314 -9.954 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 2 . 281 . 1 1 8 ARG NE N -0.757 -4.412 -13.901 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 2 . 282 . 1 1 8 ARG NH1 N -2.974 -4.795 -14.383 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 2 . 283 . 1 1 8 ARG NH2 N -1.870 -3.048 -15.381 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 2 . 284 . 1 1 8 ARG O O 2.092 -9.089 -10.655 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 3 . 285 . 1 1 1 LYS C C 1.105 -1.030 -1.787 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 3 . 286 . 1 1 1 LYS CA C 0.334 -0.130 -0.827 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 3 . 287 . 1 1 1 LYS CB C 1.079 1.195 -0.644 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 3 . 288 . 1 1 1 LYS CD C 0.759 3.080 0.985 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 3 . 289 . 1 1 1 LYS CE C 1.892 4.008 0.574 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 3 . 290 . 1 1 1 LYS CG C 0.182 2.342 -0.211 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 3 . 291 . 1 1 1 LYS H1 H 0.923 -0.939 1.039 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 3 . 292 . 1 1 1 LYS HA H -0.641 0.070 -1.244 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 3 . 293 . 1 1 1 LYS HB2 H 1.846 1.063 0.105 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 3 . 294 . 1 1 1 LYS HB3 H 1.545 1.464 -1.580 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 3 . 295 . 1 1 1 LYS HD2 H -0.022 3.666 1.447 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 3 . 296 . 1 1 1 LYS HD3 H 1.137 2.358 1.695 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 3 . 297 . 1 1 1 LYS HE2 H 2.125 3.832 -0.464 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 3 . 298 . 1 1 1 LYS HE3 H 1.566 5.030 0.701 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 3 . 299 . 1 1 1 LYS HG2 H 0.078 3.035 -1.032 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 3 . 300 . 1 1 1 LYS HG3 H -0.788 1.947 0.055 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 3 . 301 . 1 1 1 LYS HZ1 H 3.567 4.694 1.617 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 3 . 302 . 1 1 1 LYS HZ2 H 3.793 3.195 0.866 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 3 . 303 . 1 1 1 LYS HZ3 H 2.870 3.302 2.279 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 3 . 304 . 1 1 1 LYS N N 0.145 -0.785 0.462 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 3 . 305 . 1 1 1 LYS NZ N 3.116 3.785 1.392 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 3 . 306 . 1 1 1 LYS O O 1.784 -0.549 -2.695 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 3 . 307 . 1 1 2 PHE C C 0.680 -4.161 -3.201 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 3 . 308 . 1 1 2 PHE CA C 1.682 -3.305 -2.430 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 3 . 309 . 1 1 2 PHE CB C 2.591 -4.200 -1.587 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 3 . 310 . 1 1 2 PHE CD1 C 4.772 -2.980 -1.361 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 3 . 311 . 1 1 2 PHE CD2 C 3.379 -3.176 0.564 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 3 . 312 . 1 1 2 PHE CE1 C 5.703 -2.278 -0.619 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 3 . 313 . 1 1 2 PHE CE2 C 4.307 -2.474 1.311 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 3 . 314 . 1 1 2 PHE CG C 3.601 -3.437 -0.778 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 3 . 315 . 1 1 2 PHE CZ C 5.470 -2.023 0.718 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 3 . 316 . 1 1 2 PHE H H 0.439 -2.661 -0.842 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 3 . 317 . 1 1 2 PHE HA H 2.286 -2.756 -3.136 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 3 . 318 . 1 1 2 PHE HB2 H 1.985 -4.775 -0.902 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 3 . 319 . 1 1 2 PHE HB3 H 3.127 -4.874 -2.239 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 3 . 320 . 1 1 2 PHE HD1 H 4.956 -3.177 -2.407 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 3 . 321 . 1 1 2 PHE HD2 H 2.469 -3.528 1.029 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 3 . 322 . 1 1 2 PHE HE1 H 6.612 -1.927 -1.086 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 3 . 323 . 1 1 2 PHE HE2 H 4.121 -2.277 2.356 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 3 . 324 . 1 1 2 PHE HZ H 6.196 -1.475 1.300 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 3 . 325 . 1 1 2 PHE N N 0.995 -2.338 -1.582 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 3 . 326 . 1 1 2 PHE O O 0.898 -5.353 -3.412 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 3 . 327 . 1 1 3 GLY C C -1.473 -3.873 -5.824 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 3 . 328 . 1 1 3 GLY CA C -1.440 -4.261 -4.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 3 . 329 . 1 1 3 GLY H H -0.541 -2.589 -3.421 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 3 . 330 . 1 1 3 GLY HA2 H -1.246 -5.320 -4.282 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 3 . 331 . 1 1 3 GLY HA3 H -2.404 -4.048 -3.921 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 3 . 332 . 1 1 3 GLY N N -0.420 -3.542 -3.618 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 3 . 333 . 1 1 3 GLY O O -2.507 -3.990 -6.482 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 3 . 334 . 1 1 4 LYS C C -0.157 -4.219 -8.651 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 3 . 335 . 1 1 4 LYS CA C -0.240 -3.003 -7.734 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 3 . 336 . 1 1 4 LYS CB C 0.985 -2.110 -7.942 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 3 . 337 . 1 1 4 LYS CD C 2.515 -2.877 -9.780 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 3 . 338 . 1 1 4 LYS CE C 2.290 -3.501 -11.149 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 3 . 339 . 1 1 4 LYS CG C 1.377 -1.944 -9.400 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 3 . 340 . 1 1 4 LYS H H 0.453 -3.339 -5.763 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 3 . 341 . 1 1 4 LYS HA H -1.130 -2.442 -7.980 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 3 . 342 . 1 1 4 LYS HB2 H 0.776 -1.132 -7.534 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 3 . 343 . 1 1 4 LYS HB3 H 1.823 -2.540 -7.412 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 3 . 344 . 1 1 4 LYS HD2 H 3.438 -2.316 -9.800 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 3 . 345 . 1 1 4 LYS HD3 H 2.586 -3.664 -9.043 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 3 . 346 . 1 1 4 LYS HE2 H 3.022 -4.280 -11.300 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 3 . 347 . 1 1 4 LYS HE3 H 1.299 -3.928 -11.177 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 3 . 348 . 1 1 4 LYS HG2 H 0.522 -2.166 -10.021 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 3 . 349 . 1 1 4 LYS HG3 H 1.690 -0.923 -9.566 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 3 . 350 . 1 1 4 LYS HZ1 H 2.553 -2.980 -13.155 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 3 . 351 . 1 1 4 LYS HZ2 H 3.233 -1.879 -12.066 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 3 . 352 . 1 1 4 LYS HZ3 H 1.558 -1.916 -12.295 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 3 . 353 . 1 1 4 LYS N N -0.339 -3.409 -6.338 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 3 . 354 . 1 1 4 LYS NZ N 2.417 -2.499 -12.243 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 3 . 355 . 1 1 4 LYS O O -0.546 -4.157 -9.816 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 3 . 356 . 1 1 5 ASN C C -0.554 -7.585 -8.448 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 3 . 357 . 1 1 5 ASN CA C 0.484 -6.556 -8.885 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 3 . 358 . 1 1 5 ASN CB C 1.892 -7.133 -8.723 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 3 . 359 . 1 1 5 ASN CG C 2.162 -7.609 -7.309 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 3 . 360 . 1 1 5 ASN H H 0.644 -5.311 -7.180 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 3 . 361 . 1 1 5 ASN HA H 0.321 -6.315 -9.925 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 3 . 362 . 1 1 5 ASN HB2 H 2.009 -7.973 -9.393 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 3 . 363 . 1 1 5 ASN HB3 H 2.617 -6.374 -8.973 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 3 . 364 . 1 1 5 ASN HD21 H 2.466 -9.462 -7.964 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 3 . 365 . 1 1 5 ASN HD22 H 2.625 -9.233 -6.259 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 3 . 366 . 1 1 5 ASN N N 0.351 -5.324 -8.115 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 3 . 367 . 1 1 5 ASN ND2 N 2.447 -8.898 -7.163 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 3 . 368 . 1 1 5 ASN O O -0.324 -8.791 -8.538 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 3 . 369 . 1 1 5 ASN OD1 O 2.116 -6.827 -6.359 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 3 . 370 . 1 1 6 LYS C C -3.986 -7.864 -8.444 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 3 . 371 . 1 1 6 LYS CA C -2.772 -7.977 -7.527 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 3 . 372 . 1 1 6 LYS CB C -3.172 -7.633 -6.090 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 3 . 373 . 1 1 6 LYS CD C -1.486 -9.096 -4.937 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 3 . 374 . 1 1 6 LYS CE C -0.729 -9.253 -3.627 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 3 . 375 . 1 1 6 LYS CG C -2.013 -7.681 -5.109 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 3 . 376 . 1 1 6 LYS H H -1.821 -6.129 -7.929 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 3 . 377 . 1 1 6 LYS HA H -2.407 -8.992 -7.557 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 3 . 378 . 1 1 6 LYS HB2 H -3.589 -6.637 -6.074 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 3 . 379 . 1 1 6 LYS HB3 H -3.924 -8.335 -5.760 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 3 . 380 . 1 1 6 LYS HD2 H -2.318 -9.784 -4.944 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 3 . 381 . 1 1 6 LYS HD3 H -0.820 -9.324 -5.758 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 3 . 382 . 1 1 6 LYS HE2 H -0.162 -8.353 -3.444 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 3 . 383 . 1 1 6 LYS HE3 H -1.442 -9.398 -2.830 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 3 . 384 . 1 1 6 LYS HG2 H -1.215 -7.053 -5.476 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 3 . 385 . 1 1 6 LYS HG3 H -2.350 -7.313 -4.150 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 3 . 386 . 1 1 6 LYS HZ1 H -0.260 -11.256 -3.262 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 3 . 387 . 1 1 6 LYS HZ2 H 1.056 -10.204 -3.105 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 3 . 388 . 1 1 6 LYS HZ3 H 0.484 -10.619 -4.642 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 3 . 389 . 1 1 6 LYS N N -1.697 -7.101 -7.976 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 3 . 390 . 1 1 6 LYS NZ N 0.203 -10.415 -3.661 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 3 . 391 . 1 1 6 LYS O O -4.402 -8.843 -9.062 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 3 . 392 . 1 1 7 SER C C -5.354 -6.539 -10.846 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 3 . 393 . 1 1 7 SER CA C -5.715 -6.421 -9.369 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 3 . 394 . 1 1 7 SER CB C -6.299 -5.036 -9.083 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 3 . 395 . 1 1 7 SER H H -4.170 -5.920 -8.011 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 3 . 396 . 1 1 7 SER HA H -6.455 -7.171 -9.130 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 3 . 397 . 1 1 7 SER HB2 H -7.113 -4.844 -9.765 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 3 . 398 . 1 1 7 SER HB3 H -6.664 -5.005 -8.067 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 3 . 399 . 1 1 7 SER HG H -5.227 -3.532 -8.429 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 3 . 400 . 1 1 7 SER N N -4.548 -6.662 -8.528 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 3 . 401 . 1 1 7 SER O O -6.190 -6.904 -11.673 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 3 . 402 . 1 1 7 SER OG O -5.318 -4.026 -9.247 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 3 . 403 . 1 1 8 ARG C C -2.670 -7.466 -12.734 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 3 . 404 . 1 1 8 ARG CA C -3.631 -6.297 -12.548 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 3 . 405 . 1 1 8 ARG CB C -2.942 -4.988 -12.939 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 3 . 406 . 1 1 8 ARG CD C -3.367 -2.737 -11.907 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 3 . 407 . 1 1 8 ARG CG C -3.862 -3.779 -12.897 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 3 . 408 . 1 1 8 ARG CZ C -4.237 -0.724 -10.796 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 3 . 409 . 1 1 8 ARG H H -3.484 -5.943 -10.466 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 3 . 410 . 1 1 8 ARG HA H -4.490 -6.446 -13.186 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 3 . 411 . 1 1 8 ARG HB2 H -2.120 -4.811 -12.262 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 3 . 412 . 1 1 8 ARG HB3 H -2.557 -5.085 -13.943 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 3 . 413 . 1 1 8 ARG HD2 H -3.242 -3.207 -10.942 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 3 . 414 . 1 1 8 ARG HD3 H -2.415 -2.359 -12.249 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 3 . 415 . 1 1 8 ARG HE H -5.008 -1.539 -12.444 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 3 . 416 . 1 1 8 ARG HG2 H -3.902 -3.334 -13.880 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 3 . 417 . 1 1 8 ARG HG3 H -4.850 -4.100 -12.604 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 3 . 418 . 1 1 8 ARG HH11 H -2.620 -1.551 -9.911 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 3 . 419 . 1 1 8 ARG HH12 H -3.244 -0.131 -9.138 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 3 . 420 . 1 1 8 ARG HH21 H -5.839 0.331 -11.436 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 3 . 421 . 1 1 8 ARG HH22 H -5.075 0.938 -10.006 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 3 . 422 . 1 1 8 ARG N N -4.104 -6.227 -11.170 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 3 . 423 . 1 1 8 ARG NE N -4.300 -1.622 -11.773 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 3 . 424 . 1 1 8 ARG NH1 N -3.290 -0.809 -9.872 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 3 . 425 . 1 1 8 ARG NH2 N -5.123 0.263 -10.742 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 3 . 426 . 1 1 8 ARG O O -2.041 -7.604 -13.784 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 4 . 427 . 1 1 1 LYS C C 2.905 -2.085 -2.209 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 4 . 428 . 1 1 1 LYS CA C 2.275 -0.828 -1.617 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 4 . 429 . 1 1 1 LYS CB C 2.818 0.411 -2.331 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 4 . 430 . 1 1 1 LYS CD C 2.726 2.829 -1.655 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 4 . 431 . 1 1 1 LYS CE C 1.859 4.075 -1.562 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 4 . 432 . 1 1 1 LYS CG C 1.937 1.639 -2.174 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 4 . 433 . 1 1 1 LYS H1 H 3.081 -1.433 0.245 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 4 . 434 . 1 1 1 LYS HA H 1.206 -0.875 -1.758 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 4 . 435 . 1 1 1 LYS HB2 H 3.795 0.642 -1.933 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 4 . 436 . 1 1 1 LYS HB3 H 2.911 0.193 -3.385 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 4 . 437 . 1 1 1 LYS HD2 H 3.109 2.596 -0.673 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 4 . 438 . 1 1 1 LYS HD3 H 3.550 3.024 -2.327 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 4 . 439 . 1 1 1 LYS HE2 H 2.493 4.945 -1.629 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 4 . 440 . 1 1 1 LYS HE3 H 1.160 4.073 -2.385 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 4 . 441 . 1 1 1 LYS HG2 H 1.514 1.892 -3.135 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 4 . 442 . 1 1 1 LYS HG3 H 1.143 1.413 -1.477 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 4 . 443 . 1 1 1 LYS HZ1 H 0.116 3.825 -0.437 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 4 . 444 . 1 1 1 LYS HZ2 H 1.098 5.097 0.094 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 4 . 445 . 1 1 1 LYS HZ3 H 1.538 3.496 0.420 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 4 . 446 . 1 1 1 LYS N N 2.534 -0.741 -0.185 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 4 . 447 . 1 1 1 LYS NZ N 1.099 4.127 -0.282 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 4 . 448 . 1 1 1 LYS O O 3.526 -2.040 -3.270 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 4 . 449 . 1 1 2 PHE C C 2.238 -5.290 -2.722 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 4 . 450 . 1 1 2 PHE CA C 3.290 -4.477 -1.973 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 4 . 451 . 1 1 2 PHE CB C 3.824 -5.283 -0.787 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 4 . 452 . 1 1 2 PHE CD1 C 6.285 -4.851 -0.555 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 4 . 453 . 1 1 2 PHE CD2 C 4.802 -3.814 0.998 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 4 . 454 . 1 1 2 PHE CE1 C 7.363 -4.258 0.075 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 4 . 455 . 1 1 2 PHE CE2 C 5.876 -3.218 1.632 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 4 . 456 . 1 1 2 PHE CG C 4.993 -4.636 -0.101 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 4 . 457 . 1 1 2 PHE CZ C 7.158 -3.440 1.168 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 4 . 458 . 1 1 2 PHE H H 2.233 -3.180 -0.676 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 4 . 459 . 1 1 2 PHE HA H 4.106 -4.260 -2.646 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 4 . 460 . 1 1 2 PHE HB2 H 3.036 -5.401 -0.058 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 4 . 461 . 1 1 2 PHE HB3 H 4.137 -6.256 -1.133 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 4 . 462 . 1 1 2 PHE HD1 H 6.446 -5.489 -1.411 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 4 . 463 . 1 1 2 PHE HD2 H 3.798 -3.640 1.361 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 4 . 464 . 1 1 2 PHE HE1 H 8.364 -4.432 -0.290 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 4 . 465 . 1 1 2 PHE HE2 H 5.712 -2.579 2.486 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 4 . 466 . 1 1 2 PHE HZ H 7.999 -2.976 1.662 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 4 . 467 . 1 1 2 PHE N N 2.738 -3.207 -1.516 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 4 . 468 . 1 1 2 PHE O O 2.564 -6.112 -3.577 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 4 . 469 . 1 1 3 GLY C C -0.915 -4.886 -3.974 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 4 . 470 . 1 1 3 GLY CA C -0.111 -5.770 -3.041 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 4 . 471 . 1 1 3 GLY H H 0.770 -4.386 -1.703 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 4 . 472 . 1 1 3 GLY HA2 H 0.305 -6.590 -3.608 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 4 . 473 . 1 1 3 GLY HA3 H -0.770 -6.167 -2.283 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 4 . 474 . 1 1 3 GLY N N 0.971 -5.053 -2.392 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 4 . 475 . 1 1 3 GLY O O -2.094 -5.141 -4.220 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 4 . 476 . 1 1 4 LYS C C -1.076 -3.525 -6.796 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 4 . 477 . 1 1 4 LYS CA C -0.941 -2.917 -5.404 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 4 . 478 . 1 1 4 LYS CB C -0.161 -1.602 -5.484 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 4 . 479 . 1 1 4 LYS CD C 0.416 -0.890 -7.823 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 4 . 480 . 1 1 4 LYS CE C -0.312 -0.946 -9.157 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 4 . 481 . 1 1 4 LYS CG C -0.555 -0.732 -6.665 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 4 . 482 . 1 1 4 LYS H H 0.663 -3.692 -4.260 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 4 . 483 . 1 1 4 LYS HA H -1.927 -2.717 -5.014 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 4 . 484 . 1 1 4 LYS HB2 H -0.331 -1.041 -4.577 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 4 . 485 . 1 1 4 LYS HB3 H 0.893 -1.827 -5.566 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 4 . 486 . 1 1 4 LYS HD2 H 1.094 -0.049 -7.830 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 4 . 487 . 1 1 4 LYS HD3 H 0.976 -1.805 -7.689 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 4 . 488 . 1 1 4 LYS HE2 H 0.388 -1.250 -9.921 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 4 . 489 . 1 1 4 LYS HE3 H -1.107 -1.673 -9.088 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 4 . 490 . 1 1 4 LYS HG2 H -1.543 -1.017 -6.997 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 4 . 491 . 1 1 4 LYS HG3 H -0.563 0.302 -6.352 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 4 . 492 . 1 1 4 LYS HZ1 H -0.949 0.462 -10.563 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 4 . 493 . 1 1 4 LYS HZ2 H -0.296 1.143 -9.159 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 4 . 494 . 1 1 4 LYS HZ3 H -1.847 0.470 -9.130 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 4 . 495 . 1 1 4 LYS N N -0.278 -3.843 -4.494 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 4 . 496 . 1 1 4 LYS NZ N -0.892 0.375 -9.529 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 4 . 497 . 1 1 4 LYS O O -1.979 -3.172 -7.553 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 4 . 498 . 1 1 5 ASN C C -0.448 -6.598 -8.276 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 4 . 499 . 1 1 5 ASN CA C -0.192 -5.101 -8.427 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 4 . 500 . 1 1 5 ASN CB C 1.132 -4.871 -9.159 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 4 . 501 . 1 1 5 ASN CG C 2.313 -5.468 -8.418 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 4 . 502 . 1 1 5 ASN H H 0.524 -4.683 -6.480 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 4 . 503 . 1 1 5 ASN HA H -0.993 -4.667 -9.006 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 4 . 504 . 1 1 5 ASN HB2 H 1.079 -5.325 -10.138 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 4 . 505 . 1 1 5 ASN HB3 H 1.297 -3.810 -9.267 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 4 . 506 . 1 1 5 ASN HD21 H 3.116 -3.663 -8.193 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 4 . 507 . 1 1 5 ASN HD22 H 4.017 -4.976 -7.521 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 4 . 508 . 1 1 5 ASN N N -0.172 -4.443 -7.126 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 4 . 509 . 1 1 5 ASN ND2 N 3.242 -4.616 -8.002 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 4 . 510 . 1 1 5 ASN O O -0.024 -7.399 -9.109 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 4 . 511 . 1 1 5 ASN OD1 O 2.388 -6.682 -8.223 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 4 . 512 . 1 1 6 LYS C C -2.337 -8.943 -8.054 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 4 . 513 . 1 1 6 LYS CA C -1.462 -8.367 -6.946 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 4 . 514 . 1 1 6 LYS CB C -2.170 -8.508 -5.596 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 4 . 515 . 1 1 6 LYS CD C -4.014 -7.490 -4.227 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 4 . 516 . 1 1 6 LYS CE C -4.800 -8.548 -3.468 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 4 . 517 . 1 1 6 LYS CG C -3.597 -7.986 -5.601 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 4 . 518 . 1 1 6 LYS H H -1.457 -6.282 -6.579 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 4 . 519 . 1 1 6 LYS HA H -0.533 -8.916 -6.914 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 4 . 520 . 1 1 6 LYS HB2 H -2.192 -9.552 -5.322 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 4 . 521 . 1 1 6 LYS HB3 H -1.612 -7.960 -4.851 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 4 . 522 . 1 1 6 LYS HD2 H -3.129 -7.240 -3.660 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 4 . 523 . 1 1 6 LYS HD3 H -4.630 -6.610 -4.343 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 4 . 524 . 1 1 6 LYS HE2 H -4.566 -9.517 -3.880 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 4 . 525 . 1 1 6 LYS HE3 H -4.507 -8.518 -2.429 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 4 . 526 . 1 1 6 LYS HG2 H -3.670 -7.169 -6.304 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 4 . 527 . 1 1 6 LYS HG3 H -4.261 -8.783 -5.903 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 4 . 528 . 1 1 6 LYS HZ1 H -6.463 -7.335 -3.830 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 4 . 529 . 1 1 6 LYS HZ2 H -6.721 -8.518 -2.648 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 4 . 530 . 1 1 6 LYS HZ3 H -6.681 -8.951 -4.282 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 4 . 531 . 1 1 6 LYS N N -1.146 -6.968 -7.207 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 4 . 532 . 1 1 6 LYS NZ N -6.269 -8.322 -3.564 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 4 . 533 . 1 1 6 LYS O O -2.329 -10.149 -8.300 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 4 . 534 . 1 1 7 SER C C -3.455 -8.005 -11.149 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 4 . 535 . 1 1 7 SER CA C -3.972 -8.497 -9.801 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 4 . 536 . 1 1 7 SER CB C -5.390 -7.975 -9.565 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 4 . 537 . 1 1 7 SER H H -3.052 -7.125 -8.477 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 4 . 538 . 1 1 7 SER HA H -3.992 -9.577 -9.809 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 4 . 539 . 1 1 7 SER HB2 H -5.783 -8.406 -8.657 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 4 . 540 . 1 1 7 SER HB3 H -5.363 -6.899 -9.470 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 4 . 541 . 1 1 7 SER HG H -6.426 -7.536 -11.168 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 4 . 542 . 1 1 7 SER N N -3.090 -8.074 -8.720 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 4 . 543 . 1 1 7 SER O O -3.723 -8.609 -12.188 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 4 . 544 . 1 1 7 SER OG O -6.246 -8.317 -10.641 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 4 . 545 . 1 1 8 ARG C C -0.994 -7.170 -12.862 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 4 . 546 . 1 1 8 ARG CA C -2.156 -6.329 -12.344 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 4 . 547 . 1 1 8 ARG CB C -1.688 -4.895 -12.089 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 4 . 548 . 1 1 8 ARG CD C -3.658 -3.635 -13.010 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 4 . 549 . 1 1 8 ARG CG C -2.166 -3.903 -13.136 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 4 . 550 . 1 1 8 ARG CZ C -3.780 -1.256 -13.618 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 4 . 551 . 1 1 8 ARG H H -2.531 -6.467 -10.265 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 4 . 552 . 1 1 8 ARG HA H -2.937 -6.316 -13.089 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 4 . 553 . 1 1 8 ARG HB2 H -2.056 -4.573 -11.126 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 4 . 554 . 1 1 8 ARG HB3 H -0.608 -4.879 -12.076 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 4 . 555 . 1 1 8 ARG HD2 H -4.140 -3.911 -13.936 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 4 . 556 . 1 1 8 ARG HD3 H -4.051 -4.239 -12.206 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 4 . 557 . 1 1 8 ARG HE H -4.264 -2.002 -11.833 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 4 . 558 . 1 1 8 ARG HG2 H -1.633 -2.972 -13.008 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 4 . 559 . 1 1 8 ARG HG3 H -1.963 -4.304 -14.118 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 4 . 560 . 1 1 8 ARG HH11 H -3.133 -2.478 -15.091 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 4 . 561 . 1 1 8 ARG HH12 H -3.224 -0.799 -15.507 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 4 . 562 . 1 1 8 ARG HH21 H -4.388 0.211 -12.368 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 4 . 563 . 1 1 8 ARG HH22 H -3.937 0.730 -13.957 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 4 . 564 . 1 1 8 ARG N N -2.711 -6.904 -11.124 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 4 . 565 . 1 1 8 ARG NE N -3.940 -2.230 -12.729 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 4 . 566 . 1 1 8 ARG NH1 N -3.343 -1.534 -14.838 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 4 . 567 . 1 1 8 ARG NH2 N -4.058 -0.002 -13.287 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 4 . 568 . 1 1 8 ARG O O -1.187 -8.085 -13.664 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 5 . 569 . 1 1 1 LYS C C 2.121 -2.102 -2.319 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 5 . 570 . 1 1 1 LYS CA C 2.222 -1.105 -1.169 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 5 . 571 . 1 1 1 LYS CB C 2.117 0.323 -1.707 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 5 . 572 . 1 1 1 LYS CD C 2.908 0.810 -4.041 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 5 . 573 . 1 1 1 LYS CE C 2.867 2.249 -4.534 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 5 . 574 . 1 1 1 LYS CG C 3.294 0.735 -2.573 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 5 . 575 . 1 1 1 LYS H1 H 4.322 -1.207 -0.921 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 5 . 576 . 1 1 1 LYS HA H 1.409 -1.283 -0.482 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 5 . 577 . 1 1 1 LYS HB2 H 1.216 0.407 -2.297 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 5 . 578 . 1 1 1 LYS HB3 H 2.055 1.006 -0.872 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 5 . 579 . 1 1 1 LYS HD2 H 3.633 0.263 -4.624 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 5 . 580 . 1 1 1 LYS HD3 H 1.931 0.367 -4.170 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 5 . 581 . 1 1 1 LYS HE2 H 3.816 2.717 -4.317 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 5 . 582 . 1 1 1 LYS HE3 H 2.703 2.245 -5.601 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 5 . 583 . 1 1 1 LYS HG2 H 3.643 1.706 -2.254 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 5 . 584 . 1 1 1 LYS HG3 H 4.087 0.010 -2.456 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 5 . 585 . 1 1 1 LYS HZ1 H 1.974 4.048 -3.960 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 5 . 586 . 1 1 1 LYS HZ2 H 1.719 2.778 -2.871 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 5 . 587 . 1 1 1 LYS HZ3 H 0.869 2.822 -4.333 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 5 . 588 . 1 1 1 LYS N N 3.472 -1.279 -0.438 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 5 . 589 . 1 1 1 LYS NZ N 1.781 3.029 -3.879 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 5 . 590 . 1 1 1 LYS O O 1.447 -1.847 -3.317 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 5 . 591 . 1 1 2 PHE C C 1.471 -5.056 -3.164 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 5 . 592 . 1 1 2 PHE CA C 2.781 -4.274 -3.199 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 5 . 593 . 1 1 2 PHE CB C 3.963 -5.226 -3.009 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 5 . 594 . 1 1 2 PHE CD1 C 5.258 -4.944 -5.139 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 5 . 595 . 1 1 2 PHE CD2 C 6.288 -4.287 -3.092 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 5 . 596 . 1 1 2 PHE CE1 C 6.390 -4.563 -5.834 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 5 . 597 . 1 1 2 PHE CE2 C 7.423 -3.905 -3.781 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 5 . 598 . 1 1 2 PHE CG C 5.194 -4.811 -3.762 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 5 . 599 . 1 1 2 PHE CZ C 7.474 -4.042 -5.155 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 5 . 600 . 1 1 2 PHE H H 3.315 -3.383 -1.354 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 5 . 601 . 1 1 2 PHE HA H 2.871 -3.789 -4.159 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 5 . 602 . 1 1 2 PHE HB2 H 4.215 -5.271 -1.960 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 5 . 603 . 1 1 2 PHE HB3 H 3.680 -6.211 -3.349 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 5 . 604 . 1 1 2 PHE HD1 H 4.411 -5.351 -5.673 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 5 . 605 . 1 1 2 PHE HD2 H 6.249 -4.179 -2.017 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 5 . 606 . 1 1 2 PHE HE1 H 6.427 -4.671 -6.908 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 5 . 607 . 1 1 2 PHE HE2 H 8.268 -3.497 -3.247 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 5 . 608 . 1 1 2 PHE HZ H 8.360 -3.744 -5.695 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 5 . 609 . 1 1 2 PHE N N 2.795 -3.238 -2.172 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 5 . 610 . 1 1 2 PHE O O 0.991 -5.531 -4.192 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 5 . 611 . 1 1 3 GLY C C -1.500 -5.241 -2.543 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 5 . 612 . 1 1 3 GLY CA C -0.349 -5.914 -1.822 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 5 . 613 . 1 1 3 GLY H H 1.328 -4.788 -1.185 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 5 . 614 . 1 1 3 GLY HA2 H -0.222 -6.910 -2.218 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 5 . 615 . 1 1 3 GLY HA3 H -0.589 -5.983 -0.771 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 5 . 616 . 1 1 3 GLY N N 0.899 -5.188 -1.970 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 5 . 617 . 1 1 3 GLY O O -2.485 -5.890 -2.897 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 5 . 618 . 1 1 4 LYS C C -2.378 -3.428 -4.947 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 5 . 619 . 1 1 4 LYS CA C -2.417 -3.174 -3.444 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 5 . 620 . 1 1 4 LYS CB C -2.249 -1.679 -3.164 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 5 . 621 . 1 1 4 LYS CD C -2.159 -0.251 -5.228 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 5 . 622 . 1 1 4 LYS CE C -2.046 1.265 -5.166 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 5 . 623 . 1 1 4 LYS CG C -3.036 -0.790 -4.111 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 5 . 624 . 1 1 4 LYS H H -0.569 -3.474 -2.455 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 5 . 625 . 1 1 4 LYS HA H -3.373 -3.498 -3.061 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 5 . 626 . 1 1 4 LYS HB2 H -2.577 -1.475 -2.155 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 5 . 627 . 1 1 4 LYS HB3 H -1.202 -1.424 -3.251 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 5 . 628 . 1 1 4 LYS HD2 H -1.172 -0.678 -5.138 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 5 . 629 . 1 1 4 LYS HD3 H -2.589 -0.532 -6.179 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 5 . 630 . 1 1 4 LYS HE2 H -1.705 1.547 -4.181 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 5 . 631 . 1 1 4 LYS HE3 H -1.325 1.589 -5.902 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 5 . 632 . 1 1 4 LYS HG2 H -3.840 -1.365 -4.545 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 5 . 633 . 1 1 4 LYS HG3 H -3.445 0.041 -3.554 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 5 . 634 . 1 1 4 LYS HZ1 H -3.195 2.834 -5.927 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 5 . 635 . 1 1 4 LYS HZ2 H -3.850 2.113 -4.544 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 5 . 636 . 1 1 4 LYS HZ3 H -3.944 1.321 -6.035 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 5 . 637 . 1 1 4 LYS N N -1.379 -3.936 -2.761 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 5 . 638 . 1 1 4 LYS NZ N -3.350 1.930 -5.437 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 5 . 639 . 1 1 4 LYS O O -3.392 -3.305 -5.633 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 5 . 640 . 1 1 5 ASN C C -0.950 -5.557 -7.136 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 5 . 641 . 1 1 5 ASN CA C -1.032 -4.056 -6.875 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 5 . 642 . 1 1 5 ASN CB C 0.229 -3.366 -7.401 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 5 . 643 . 1 1 5 ASN CG C 0.160 -1.857 -7.269 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 5 . 644 . 1 1 5 ASN H H -0.429 -3.864 -4.855 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 5 . 645 . 1 1 5 ASN HA H -1.891 -3.658 -7.394 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 5 . 646 . 1 1 5 ASN HB2 H 1.084 -3.718 -6.842 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 5 . 647 . 1 1 5 ASN HB3 H 0.360 -3.613 -8.444 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 5 . 648 . 1 1 5 ASN HD21 H 1.631 -1.882 -5.932 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 5 . 649 . 1 1 5 ASN HD22 H 0.990 -0.324 -6.315 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 5 . 650 . 1 1 5 ASN N N -1.202 -3.783 -5.453 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 5 . 651 . 1 1 5 ASN ND2 N 1.014 -1.298 -6.420 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 5 . 652 . 1 1 5 ASN O O -0.350 -5.996 -8.117 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 5 . 653 . 1 1 5 ASN OD1 O -0.651 -1.202 -7.925 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 5 . 654 . 1 1 6 LYS C C -2.351 -8.225 -7.614 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 5 . 655 . 1 1 6 LYS CA C -1.558 -7.791 -6.385 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 5 . 656 . 1 1 6 LYS CB C -2.147 -8.440 -5.131 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 5 . 657 . 1 1 6 LYS CD C -4.126 -8.618 -3.594 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 5 . 658 . 1 1 6 LYS CE C -5.634 -8.466 -3.465 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 5 . 659 . 1 1 6 LYS CG C -3.643 -8.225 -4.980 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 5 . 660 . 1 1 6 LYS H H -2.021 -5.929 -5.490 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 5 . 661 . 1 1 6 LYS HA H -0.534 -8.113 -6.500 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 5 . 662 . 1 1 6 LYS HB2 H -1.959 -9.503 -5.167 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 5 . 663 . 1 1 6 LYS HB3 H -1.656 -8.026 -4.262 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 5 . 664 . 1 1 6 LYS HD2 H -3.862 -9.648 -3.408 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 5 . 665 . 1 1 6 LYS HD3 H -3.645 -7.984 -2.862 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 5 . 666 . 1 1 6 LYS HE2 H -5.853 -7.474 -3.103 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 5 . 667 . 1 1 6 LYS HE3 H -6.080 -8.601 -4.439 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 5 . 668 . 1 1 6 LYS HG2 H -3.866 -7.181 -5.144 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 5 . 669 . 1 1 6 LYS HG3 H -4.160 -8.826 -5.715 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 5 . 670 . 1 1 6 LYS HZ1 H -7.125 -9.810 -2.886 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 5 . 671 . 1 1 6 LYS HZ2 H -6.365 -9.030 -1.591 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 5 . 672 . 1 1 6 LYS HZ3 H -5.566 -10.271 -2.416 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 5 . 673 . 1 1 6 LYS N N -1.559 -6.339 -6.252 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 5 . 674 . 1 1 6 LYS NZ N -6.213 -9.464 -2.524 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 5 . 675 . 1 1 6 LYS O O -2.102 -9.288 -8.181 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 5 . 676 . 1 1 7 SER C C -3.349 -7.504 -10.476 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 5 . 677 . 1 1 7 SER CA C -4.135 -7.692 -9.182 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 5 . 678 . 1 1 7 SER CB C -5.376 -6.797 -9.192 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 5 . 679 . 1 1 7 SER H H -3.455 -6.560 -7.528 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 5 . 680 . 1 1 7 SER HA H -4.446 -8.724 -9.111 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 5 . 681 . 1 1 7 SER HB2 H -5.100 -5.807 -9.519 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 5 . 682 . 1 1 7 SER HB3 H -6.108 -7.210 -9.871 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 5 . 683 . 1 1 7 SER HG H -5.543 -5.987 -7.416 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 5 . 684 . 1 1 7 SER N N -3.305 -7.393 -8.022 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 5 . 685 . 1 1 7 SER O O -3.416 -8.334 -11.383 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 5 . 686 . 1 1 7 SER OG O -5.951 -6.709 -7.900 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 5 . 687 . 1 1 8 ARG C C -0.320 -6.045 -11.388 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 5 . 688 . 1 1 8 ARG CA C -1.804 -6.107 -11.736 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 5 . 689 . 1 1 8 ARG CB C -2.250 -4.782 -12.356 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 5 . 690 . 1 1 8 ARG CD C -0.441 -3.236 -13.166 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 5 . 691 . 1 1 8 ARG CG C -1.404 -4.350 -13.544 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 5 . 692 . 1 1 8 ARG CZ C 1.259 -3.486 -14.925 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 5 . 693 . 1 1 8 ARG H H -2.591 -5.782 -9.798 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 5 . 694 . 1 1 8 ARG HA H -1.961 -6.900 -12.452 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 5 . 695 . 1 1 8 ARG HB2 H -3.273 -4.878 -12.688 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 5 . 696 . 1 1 8 ARG HB3 H -2.195 -4.009 -11.604 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 5 . 697 . 1 1 8 ARG HD2 H -0.792 -2.312 -13.601 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 5 . 698 . 1 1 8 ARG HD3 H -0.424 -3.143 -12.090 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 5 . 699 . 1 1 8 ARG HE H 1.601 -3.696 -12.971 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 5 . 700 . 1 1 8 ARG HG2 H -0.836 -5.198 -13.896 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 5 . 701 . 1 1 8 ARG HG3 H -2.057 -4.000 -14.330 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 5 . 702 . 1 1 8 ARG HH11 H -0.594 -3.033 -15.591 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 5 . 703 . 1 1 8 ARG HH12 H 0.613 -3.212 -16.820 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 5 . 704 . 1 1 8 ARG HH21 H 3.199 -3.934 -14.581 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 5 . 705 . 1 1 8 ARG HH22 H 2.771 -3.725 -16.245 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 5 . 706 . 1 1 8 ARG N N -2.603 -6.406 -10.554 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 5 . 707 . 1 1 8 ARG NE N 0.914 -3.499 -13.642 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 5 . 708 . 1 1 8 ARG NH1 N 0.351 -3.222 -15.855 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 5 . 709 . 1 1 8 ARG NH2 N 2.513 -3.735 -15.279 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 5 . 710 . 1 1 8 ARG O O 0.275 -7.044 -10.985 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 6 . 711 . 1 1 1 LYS C C 1.729 -1.020 -1.224 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 6 . 712 . 1 1 1 LYS CA C 1.784 -0.020 -0.073 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 6 . 713 . 1 1 1 LYS CB C 2.512 1.250 -0.521 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 6 . 714 . 1 1 1 LYS CD C 4.416 1.429 -2.150 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 6 . 715 . 1 1 1 LYS CE C 5.837 0.981 -2.452 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 6 . 716 . 1 1 1 LYS CG C 4.002 1.053 -0.737 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 6 . 717 . 1 1 1 LYS H1 H 3.402 -0.820 1.032 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 6 . 718 . 1 1 1 LYS HA H 0.776 0.236 0.215 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 6 . 719 . 1 1 1 LYS HB2 H 2.077 1.591 -1.449 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 6 . 720 . 1 1 1 LYS HB3 H 2.376 2.013 0.232 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 6 . 721 . 1 1 1 LYS HD2 H 3.744 0.955 -2.850 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 6 . 722 . 1 1 1 LYS HD3 H 4.354 2.502 -2.260 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 6 . 723 . 1 1 1 LYS HE2 H 6.418 1.842 -2.743 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 6 . 724 . 1 1 1 LYS HE3 H 6.261 0.546 -1.559 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 6 . 725 . 1 1 1 LYS HG2 H 4.543 1.674 -0.038 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 6 . 726 . 1 1 1 LYS HG3 H 4.248 0.015 -0.563 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 6 . 727 . 1 1 1 LYS HZ1 H 4.950 -0.479 -3.655 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 6 . 728 . 1 1 1 LYS HZ2 H 6.588 -0.757 -3.335 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 6 . 729 . 1 1 1 LYS HZ3 H 6.134 0.434 -4.446 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 6 . 730 . 1 1 1 LYS N N 2.448 -0.600 1.088 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 6 . 731 . 1 1 1 LYS NZ N 5.880 -0.026 -3.549 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 6 . 732 . 1 1 1 LYS O O 1.732 -0.636 -2.394 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 6 . 733 . 1 1 2 PHE C C 0.265 -4.057 -1.869 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 6 . 734 . 1 1 2 PHE CA C 1.621 -3.358 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 6 . 735 . 1 1 2 PHE CB C 2.736 -4.379 -1.652 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 6 . 736 . 1 1 2 PHE CD1 C 4.451 -4.131 -3.467 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 6 . 737 . 1 1 2 PHE CD2 C 2.973 -6.000 -3.552 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 6 . 738 . 1 1 2 PHE CE1 C 5.063 -4.559 -4.630 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 6 . 739 . 1 1 2 PHE CE2 C 3.581 -6.433 -4.715 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 6 . 740 . 1 1 2 PHE CG C 3.400 -4.846 -2.916 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 6 . 741 . 1 1 2 PHE CZ C 4.629 -5.712 -5.255 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 6 . 742 . 1 1 2 PHE H H 1.678 -2.547 0.065 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 6 . 743 . 1 1 2 PHE HA H 1.762 -2.902 -2.857 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 6 . 744 . 1 1 2 PHE HB2 H 3.494 -3.933 -1.025 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 6 . 745 . 1 1 2 PHE HB3 H 2.324 -5.242 -1.153 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 6 . 746 . 1 1 2 PHE HD1 H 4.793 -3.230 -2.980 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 6 . 747 . 1 1 2 PHE HD2 H 2.154 -6.566 -3.131 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 6 . 748 . 1 1 2 PHE HE1 H 5.882 -3.993 -5.050 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 6 . 749 . 1 1 2 PHE HE2 H 3.239 -7.335 -5.201 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 6 . 750 . 1 1 2 PHE HZ H 5.105 -6.048 -6.164 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 6 . 751 . 1 1 2 PHE N N 1.678 -2.303 -0.884 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 6 . 752 . 1 1 2 PHE O O 0.162 -5.246 -2.166 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 6 . 753 . 1 1 3 GLY C C -2.810 -3.837 -2.805 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 6 . 754 . 1 1 3 GLY CA C -2.111 -3.872 -1.460 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 6 . 755 . 1 1 3 GLY H H -0.634 -2.365 -1.287 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 6 . 756 . 1 1 3 GLY HA2 H -2.045 -4.896 -1.127 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 6 . 757 . 1 1 3 GLY HA3 H -2.698 -3.310 -0.748 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 6 . 758 . 1 1 3 GLY N N -0.775 -3.308 -1.514 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 6 . 759 . 1 1 3 GLY O O -3.318 -4.855 -3.276 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 6 . 760 . 1 1 4 LYS C C -2.606 -3.064 -5.839 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 6 . 761 . 1 1 4 LYS CA C -3.480 -2.498 -4.724 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 6 . 762 . 1 1 4 LYS CB C -3.769 -1.018 -4.989 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 6 . 763 . 1 1 4 LYS CD C -2.872 -0.172 -7.178 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 6 . 764 . 1 1 4 LYS CE C -3.097 1.255 -7.654 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 6 . 765 . 1 1 4 LYS CG C -4.087 -0.712 -6.442 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 6 . 766 . 1 1 4 LYS H H -2.415 -1.887 -2.999 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 6 . 767 . 1 1 4 LYS HA H -4.413 -3.040 -4.704 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 6 . 768 . 1 1 4 LYS HB2 H -4.611 -0.714 -4.386 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 6 . 769 . 1 1 4 LYS HB3 H -2.903 -0.438 -4.702 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 6 . 770 . 1 1 4 LYS HD2 H -2.023 -0.187 -6.511 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 6 . 771 . 1 1 4 LYS HD3 H -2.672 -0.801 -8.034 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 6 . 772 . 1 1 4 LYS HE2 H -4.129 1.363 -7.952 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 6 . 773 . 1 1 4 LYS HE3 H -2.886 1.930 -6.838 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 6 . 774 . 1 1 4 LYS HG2 H -4.416 -1.618 -6.929 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 6 . 775 . 1 1 4 LYS HG3 H -4.877 0.026 -6.480 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 6 . 776 . 1 1 4 LYS HZ1 H -1.465 0.892 -8.907 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 6 . 777 . 1 1 4 LYS HZ2 H -1.790 2.534 -8.662 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 6 . 778 . 1 1 4 LYS HZ3 H -2.778 1.620 -9.686 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 6 . 779 . 1 1 4 LYS N N -2.838 -2.662 -3.425 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 6 . 780 . 1 1 4 LYS NZ N -2.221 1.599 -8.808 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 6 . 781 . 1 1 4 LYS O O -3.106 -3.471 -6.886 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 6 . 782 . 1 1 5 ASN C C 0.042 -5.041 -6.261 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 6 . 783 . 1 1 5 ASN CA C -0.354 -3.604 -6.589 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 6 . 784 . 1 1 5 ASN CB C 0.893 -2.720 -6.645 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 6 . 785 . 1 1 5 ASN CG C 0.590 -1.325 -7.157 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 6 . 786 . 1 1 5 ASN H H -0.959 -2.748 -4.750 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 6 . 787 . 1 1 5 ASN HA H -0.840 -3.589 -7.553 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 6 . 788 . 1 1 5 ASN HB2 H 1.311 -2.635 -5.653 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 6 . 789 . 1 1 5 ASN HB3 H 1.620 -3.174 -7.300 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 6 . 790 . 1 1 5 ASN HD21 H 0.760 -0.587 -5.318 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 6 . 791 . 1 1 5 ASN HD22 H 0.382 0.559 -6.556 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 6 . 792 . 1 1 5 ASN N N -1.298 -3.087 -5.605 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 6 . 793 . 1 1 5 ASN ND2 N 0.576 -0.353 -6.252 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 6 . 794 . 1 1 5 ASN O O 1.129 -5.495 -6.619 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 6 . 795 . 1 1 5 ASN OD1 O 0.371 -1.124 -8.352 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 6 . 796 . 1 1 6 LYS C C -0.273 -7.985 -6.428 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 6 . 797 . 1 1 6 LYS CA C -0.594 -7.138 -5.201 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 6 . 798 . 1 1 6 LYS CB C -1.806 -7.720 -4.470 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 6 . 799 . 1 1 6 LYS CD C -4.316 -7.816 -4.417 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 6 . 800 . 1 1 6 LYS CE C -5.189 -8.989 -4.835 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 6 . 801 . 1 1 6 LYS CG C -3.082 -7.700 -5.295 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 6 . 802 . 1 1 6 LYS H H -1.698 -5.335 -5.320 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 6 . 803 . 1 1 6 LYS HA H 0.256 -7.151 -4.537 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 6 . 804 . 1 1 6 LYS HB2 H -1.592 -8.744 -4.201 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 6 . 805 . 1 1 6 LYS HB3 H -1.977 -7.148 -3.569 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 6 . 806 . 1 1 6 LYS HD2 H -4.006 -7.960 -3.392 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 6 . 807 . 1 1 6 LYS HD3 H -4.891 -6.904 -4.496 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 6 . 808 . 1 1 6 LYS HE2 H -6.225 -8.693 -4.764 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 6 . 809 . 1 1 6 LYS HE3 H -4.958 -9.246 -5.858 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 6 . 810 . 1 1 6 LYS HG2 H -3.130 -6.771 -5.844 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 6 . 811 . 1 1 6 LYS HG3 H -3.064 -8.529 -5.988 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 6 . 812 . 1 1 6 LYS HZ1 H -4.352 -10.866 -4.459 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 6 . 813 . 1 1 6 LYS HZ2 H -5.874 -10.640 -3.755 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 6 . 814 . 1 1 6 LYS HZ3 H -4.512 -9.898 -3.080 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 6 . 815 . 1 1 6 LYS N N -0.848 -5.752 -5.577 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 6 . 816 . 1 1 6 LYS NZ N -4.966 -10.182 -3.972 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 6 . 817 . 1 1 6 LYS O O 0.577 -8.874 -6.376 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 6 . 818 . 1 1 7 SER C C 0.298 -7.747 -9.645 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 6 . 819 . 1 1 7 SER CA C -0.746 -8.439 -8.773 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 6 . 820 . 1 1 7 SER CB C -2.061 -8.574 -9.541 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 6 . 821 . 1 1 7 SER H H -1.621 -6.981 -7.511 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 6 . 822 . 1 1 7 SER HA H -0.386 -9.424 -8.515 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 6 . 823 . 1 1 7 SER HB2 H -1.850 -8.718 -10.590 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 6 . 824 . 1 1 7 SER HB3 H -2.610 -9.425 -9.164 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 6 . 825 . 1 1 7 SER HG H -3.539 -7.574 -8.733 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 6 . 826 . 1 1 7 SER N N -0.957 -7.702 -7.533 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 6 . 827 . 1 1 7 SER O O 1.422 -8.228 -9.786 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 6 . 828 . 1 1 7 SER OG O -2.860 -7.413 -9.392 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 6 . 829 . 1 1 8 ARG C C 1.281 -4.579 -10.396 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 6 . 830 . 1 1 8 ARG CA C 0.817 -5.857 -11.088 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 6 . 831 . 1 1 8 ARG CB C 0.126 -5.513 -12.408 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 6 . 832 . 1 1 8 ARG CD C -2.080 -4.667 -13.267 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 6 . 833 . 1 1 8 ARG CG C -0.949 -4.447 -12.273 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 6 . 834 . 1 1 8 ARG CZ C -2.557 -4.171 -15.627 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 6 . 835 . 1 1 8 ARG H H -0.994 -6.283 -10.077 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 6 . 836 . 1 1 8 ARG HA H 1.678 -6.475 -11.293 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 6 . 837 . 1 1 8 ARG HB2 H 0.868 -5.157 -13.108 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 6 . 838 . 1 1 8 ARG HB3 H -0.332 -6.407 -12.805 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 6 . 839 . 1 1 8 ARG HD2 H -2.356 -5.711 -13.252 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 6 . 840 . 1 1 8 ARG HD3 H -2.926 -4.066 -12.967 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 6 . 841 . 1 1 8 ARG HE H -0.742 -4.139 -14.800 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 6 . 842 . 1 1 8 ARG HG2 H -1.354 -4.481 -11.272 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 6 . 843 . 1 1 8 ARG HG3 H -0.507 -3.478 -12.452 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 6 . 844 . 1 1 8 ARG HH11 H -4.176 -4.634 -14.511 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 6 . 845 . 1 1 8 ARG HH12 H -4.499 -4.282 -16.176 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 6 . 846 . 1 1 8 ARG HH21 H -1.154 -3.673 -16.995 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 6 . 847 . 1 1 8 ARG HH22 H -2.779 -3.736 -17.588 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 6 . 848 . 1 1 8 ARG N N -0.084 -6.616 -10.228 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 6 . 849 . 1 1 8 ARG NE N -1.693 -4.298 -14.626 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 6 . 850 . 1 1 8 ARG NH1 N -3.850 -4.380 -15.421 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 6 . 851 . 1 1 8 ARG NH2 N -2.128 -3.832 -16.836 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 6 . 852 . 1 1 8 ARG O O 2.457 -4.436 -10.060 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 7 . 853 . 1 1 1 LYS C C 1.829 -1.169 -2.066 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 7 . 854 . 1 1 1 LYS CA C 2.028 -0.203 -0.903 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 7 . 855 . 1 1 1 LYS CB C 2.319 1.201 -1.437 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 7 . 856 . 1 1 1 LYS CD C 4.481 2.242 -2.180 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 7 . 857 . 1 1 1 LYS CE C 5.667 2.110 -3.123 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 7 . 858 . 1 1 1 LYS CG C 3.393 1.234 -2.510 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 7 . 859 . 1 1 1 LYS H1 H 4.040 -0.478 -0.305 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 7 . 860 . 1 1 1 LYS HA H 1.123 -0.175 -0.314 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 7 . 861 . 1 1 1 LYS HB2 H 1.410 1.610 -1.854 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 7 . 862 . 1 1 1 LYS HB3 H 2.641 1.826 -0.616 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 7 . 863 . 1 1 1 LYS HD2 H 4.074 3.239 -2.269 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 7 . 864 . 1 1 1 LYS HD3 H 4.817 2.077 -1.167 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 7 . 865 . 1 1 1 LYS HE2 H 6.569 2.351 -2.581 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 7 . 866 . 1 1 1 LYS HE3 H 5.720 1.090 -3.474 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 7 . 867 . 1 1 1 LYS HG2 H 3.839 0.253 -2.590 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 7 . 868 . 1 1 1 LYS HG3 H 2.939 1.503 -3.453 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 7 . 869 . 1 1 1 LYS HZ1 H 5.178 2.501 -5.116 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 7 . 870 . 1 1 1 LYS HZ2 H 6.481 3.413 -4.538 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 7 . 871 . 1 1 1 LYS HZ3 H 4.903 3.806 -4.074 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 7 . 872 . 1 1 1 LYS N N 3.113 -0.648 -0.036 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 7 . 873 . 1 1 1 LYS NZ N 5.549 3.021 -4.295 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 7 . 874 . 1 1 1 LYS O O 1.343 -0.784 -3.130 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 7 . 875 . 1 1 2 PHE C C 0.919 -4.400 -2.559 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 7 . 876 . 1 1 2 PHE CA C 2.066 -3.449 -2.886 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 7 . 877 . 1 1 2 PHE CB C 3.370 -4.236 -3.032 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 7 . 878 . 1 1 2 PHE CD1 C 3.604 -4.327 -5.529 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 7 . 879 . 1 1 2 PHE CD2 C 3.430 -6.381 -4.332 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 7 . 880 . 1 1 2 PHE CE1 C 3.695 -5.025 -6.718 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 7 . 881 . 1 1 2 PHE CE2 C 3.521 -7.085 -5.518 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 7 . 882 . 1 1 2 PHE CG C 3.470 -4.997 -4.323 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 7 . 883 . 1 1 2 PHE CZ C 3.655 -6.405 -6.713 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 7 . 884 . 1 1 2 PHE H H 2.585 -2.673 -0.986 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 7 . 885 . 1 1 2 PHE HA H 1.850 -2.950 -3.819 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 7 . 886 . 1 1 2 PHE HB2 H 4.203 -3.550 -2.987 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 7 . 887 . 1 1 2 PHE HB3 H 3.447 -4.944 -2.221 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 7 . 888 . 1 1 2 PHE HD1 H 3.637 -3.247 -5.535 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 7 . 889 . 1 1 2 PHE HD2 H 3.326 -6.914 -3.397 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 7 . 890 . 1 1 2 PHE HE1 H 3.800 -4.491 -7.651 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 7 . 891 . 1 1 2 PHE HE2 H 3.490 -8.164 -5.510 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 7 . 892 . 1 1 2 PHE HZ H 3.726 -6.953 -7.641 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 7 . 893 . 1 1 2 PHE N N 2.205 -2.427 -1.855 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 7 . 894 . 1 1 2 PHE O O 0.928 -5.562 -2.961 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 7 . 895 . 1 1 3 GLY C C -2.379 -4.539 -2.404 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 7 . 896 . 1 1 3 GLY CA C -1.210 -4.713 -1.456 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 7 . 897 . 1 1 3 GLY H H -0.023 -2.961 -1.534 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 7 . 898 . 1 1 3 GLY HA2 H -0.911 -5.750 -1.456 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 7 . 899 . 1 1 3 GLY HA3 H -1.526 -4.439 -0.459 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 7 . 900 . 1 1 3 GLY N N -0.069 -3.895 -1.826 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 7 . 901 . 1 1 3 GLY O O -3.045 -5.509 -2.765 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 7 . 902 . 1 1 4 LYS C C -3.371 -3.390 -5.150 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 7 . 903 . 1 1 4 LYS CA C -3.730 -2.999 -3.719 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 7 . 904 . 1 1 4 LYS CB C -4.080 -1.511 -3.659 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 7 . 905 . 1 1 4 LYS CD C -4.102 -0.368 -5.895 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 7 . 906 . 1 1 4 LYS CE C -4.472 1.098 -6.056 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 7 . 907 . 1 1 4 LYS CG C -4.938 -1.039 -4.819 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 7 . 908 . 1 1 4 LYS H H -2.066 -2.566 -2.485 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 7 . 909 . 1 1 4 LYS HA H -4.588 -3.575 -3.406 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 7 . 910 . 1 1 4 LYS HB2 H -4.614 -1.316 -2.740 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 7 . 911 . 1 1 4 LYS HB3 H -3.163 -0.938 -3.660 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 7 . 912 . 1 1 4 LYS HD2 H -3.059 -0.436 -5.624 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 7 . 913 . 1 1 4 LYS HD3 H -4.265 -0.876 -6.835 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 7 . 914 . 1 1 4 LYS HE2 H -4.663 1.517 -5.079 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 7 . 915 . 1 1 4 LYS HE3 H -3.643 1.617 -6.514 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 7 . 916 . 1 1 4 LYS HG2 H -5.444 -1.891 -5.250 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 7 . 917 . 1 1 4 LYS HG3 H -5.669 -0.333 -4.451 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 7 . 918 . 1 1 4 LYS HZ1 H -6.420 1.784 -6.374 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 7 . 919 . 1 1 4 LYS HZ2 H -6.057 0.348 -7.191 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 7 . 920 . 1 1 4 LYS HZ3 H -5.446 1.820 -7.757 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 7 . 921 . 1 1 4 LYS N N -2.633 -3.299 -2.808 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 7 . 922 . 1 1 4 LYS NZ N -5.684 1.275 -6.904 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 7 . 923 . 1 1 4 LYS O O -4.248 -3.683 -5.961 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 7 . 924 . 1 1 5 ASN C C -0.808 -5.051 -6.748 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 7 . 925 . 1 1 5 ASN CA C -1.603 -3.748 -6.783 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 7 . 926 . 1 1 5 ASN CB C -0.736 -2.625 -7.356 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 7 . 927 . 1 1 5 ASN CG C -0.946 -2.435 -8.846 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 7 . 928 . 1 1 5 ASN H H -1.425 -3.149 -4.760 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 7 . 929 . 1 1 5 ASN HA H -2.466 -3.884 -7.417 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 7 . 930 . 1 1 5 ASN HB2 H -0.983 -1.699 -6.856 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 7 . 931 . 1 1 5 ASN HB3 H 0.304 -2.856 -7.183 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 7 . 932 . 1 1 5 ASN HD21 H 0.995 -2.089 -9.100 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 7 . 933 . 1 1 5 ASN HD22 H 0.028 -2.028 -10.530 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 7 . 934 . 1 1 5 ASN N N -2.077 -3.393 -5.450 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 7 . 935 . 1 1 5 ASN ND2 N 0.135 -2.156 -9.564 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 7 . 936 . 1 1 5 ASN O O 0.098 -5.260 -7.554 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 7 . 937 . 1 1 5 ASN OD1 O -2.067 -2.539 -9.344 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 7 . 938 . 1 1 6 LYS C C -0.736 -8.095 -6.880 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 7 . 939 . 1 1 6 LYS CA C -0.477 -7.207 -5.667 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 7 . 940 . 1 1 6 LYS CB C -0.943 -7.916 -4.394 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 7 . 941 . 1 1 6 LYS CD C -2.871 -8.900 -3.119 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 7 . 942 . 1 1 6 LYS CE C -4.243 -9.547 -3.224 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 7 . 943 . 1 1 6 LYS CG C -2.363 -8.446 -4.478 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 7 . 944 . 1 1 6 LYS H H -1.886 -5.700 -5.194 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 7 . 945 . 1 1 6 LYS HA H 0.583 -7.016 -5.596 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 7 . 946 . 1 1 6 LYS HB2 H -0.281 -8.747 -4.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 7 . 947 . 1 1 6 LYS HB3 H -0.889 -7.220 -3.569 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 7 . 948 . 1 1 6 LYS HD2 H -2.177 -9.618 -2.707 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 7 . 949 . 1 1 6 LYS HD3 H -2.936 -8.042 -2.464 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 7 . 950 . 1 1 6 LYS HE2 H -4.185 -10.373 -3.915 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 7 . 951 . 1 1 6 LYS HE3 H -4.529 -9.913 -2.249 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 7 . 952 . 1 1 6 LYS HG2 H -3.009 -7.664 -4.848 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 7 . 953 . 1 1 6 LYS HG3 H -2.385 -9.286 -5.158 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 7 . 954 . 1 1 6 LYS HZ1 H -5.275 -7.734 -3.106 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 7 . 955 . 1 1 6 LYS HZ2 H -6.217 -9.024 -3.664 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 7 . 956 . 1 1 6 LYS HZ3 H -5.075 -8.308 -4.685 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 7 . 957 . 1 1 6 LYS N N -1.155 -5.924 -5.808 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 7 . 958 . 1 1 6 LYS NZ N -5.274 -8.585 -3.703 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 7 . 959 . 1 1 6 LYS O O 0.088 -8.939 -7.231 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 7 . 960 . 1 1 7 SER C C -1.228 -8.506 -9.806 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 7 . 961 . 1 1 7 SER CA C -2.254 -8.682 -8.690 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 7 . 962 . 1 1 7 SER CB C -3.641 -8.274 -9.189 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 7 . 963 . 1 1 7 SER H H -2.502 -7.209 -7.190 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 7 . 964 . 1 1 7 SER HA H -2.277 -9.722 -8.400 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 7 . 965 . 1 1 7 SER HB2 H -3.858 -7.269 -8.860 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 7 . 966 . 1 1 7 SER HB3 H -3.658 -8.311 -10.268 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 7 . 967 . 1 1 7 SER HG H -4.593 -9.985 -9.146 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 7 . 968 . 1 1 7 SER N N -1.886 -7.897 -7.518 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 7 . 969 . 1 1 7 SER O O -0.772 -9.480 -10.404 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 7 . 970 . 1 1 7 SER OG O -4.640 -9.144 -8.686 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 7 . 971 . 1 1 8 ARG C C 1.474 -7.512 -10.771 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 7 . 972 . 1 1 8 ARG CA C 0.100 -6.950 -11.125 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 7 . 973 . 1 1 8 ARG CB C 0.194 -5.438 -11.336 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 7 . 974 . 1 1 8 ARG CD C -0.391 -4.065 -13.358 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 7 . 975 . 1 1 8 ARG CG C 0.599 -5.045 -12.748 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 7 . 976 . 1 1 8 ARG CZ C 1.001 -2.104 -13.871 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 7 . 977 . 1 1 8 ARG H H -1.270 -6.521 -9.569 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 7 . 978 . 1 1 8 ARG HA H -0.240 -7.412 -12.039 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 7 . 979 . 1 1 8 ARG HB2 H -0.768 -4.996 -11.125 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 7 . 980 . 1 1 8 ARG HB3 H 0.924 -5.036 -10.650 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 7 . 981 . 1 1 8 ARG HD2 H -0.472 -4.268 -14.416 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 7 . 982 . 1 1 8 ARG HD3 H -1.353 -4.208 -12.890 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 7 . 983 . 1 1 8 ARG HE H -0.443 -2.149 -12.495 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 7 . 984 . 1 1 8 ARG HG2 H 1.574 -4.581 -12.717 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 7 . 985 . 1 1 8 ARG HG3 H 0.639 -5.932 -13.361 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 7 . 986 . 1 1 8 ARG HH11 H 1.413 -3.749 -14.968 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 7 . 987 . 1 1 8 ARG HH12 H 2.387 -2.360 -15.320 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 7 . 988 . 1 1 8 ARG HH21 H 0.833 -0.313 -12.948 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 7 . 989 . 1 1 8 ARG HH22 H 2.056 -0.406 -14.169 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 7 . 990 . 1 1 8 ARG N N -0.871 -7.256 -10.081 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 7 . 991 . 1 1 8 ARG NE N 0.027 -2.678 -13.173 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 7 . 992 . 1 1 8 ARG NH1 N 1.654 -2.795 -14.795 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 7 . 993 . 1 1 8 ARG NH2 N 1.323 -0.837 -13.644 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 7 . 994 . 1 1 8 ARG O O 1.739 -8.698 -10.967 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 8 . 995 . 1 1 1 LYS C C 1.639 -1.177 -1.879 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 8 . 996 . 1 1 1 LYS CA C 0.979 0.108 -1.389 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 8 . 997 . 1 1 1 LYS CB C 1.937 1.288 -1.571 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 8 . 998 . 1 1 1 LYS CD C 2.982 2.510 0.359 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 8 . 999 . 1 1 1 LYS CE C 3.795 3.682 -0.168 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 8 . 1000 . 1 1 1 LYS CG C 3.075 1.307 -0.565 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 8 . 1001 . 1 1 1 LYS H1 H 1.193 -0.443 0.643 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 8 . 1002 . 1 1 1 LYS HA H 0.088 0.287 -1.973 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 8 . 1003 . 1 1 1 LYS HB2 H 2.362 1.242 -2.563 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1004 . 1 1 1 LYS HB3 H 1.380 2.208 -1.470 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1005 . 1 1 1 LYS HD2 H 1.948 2.811 0.441 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 8 . 1006 . 1 1 1 LYS HD3 H 3.356 2.233 1.335 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 8 . 1007 . 1 1 1 LYS HE2 H 3.703 3.712 -1.243 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 8 . 1008 . 1 1 1 LYS HE3 H 3.400 4.595 0.252 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 8 . 1009 . 1 1 1 LYS HG2 H 3.033 0.406 0.030 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 8 . 1010 . 1 1 1 LYS HG3 H 4.014 1.346 -1.098 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 8 . 1011 . 1 1 1 LYS HZ1 H 5.545 4.416 0.704 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 8 . 1012 . 1 1 1 LYS HZ2 H 5.811 3.462 -0.668 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 8 . 1013 . 1 1 1 LYS HZ3 H 5.385 2.734 0.799 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 8 . 1014 . 1 1 1 LYS N N 0.583 -0.011 0.009 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 8 . 1015 . 1 1 1 LYS NZ N 5.235 3.565 0.192 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 8 . 1016 . 1 1 1 LYS O O 2.462 -1.154 -2.795 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 8 . 1017 . 1 1 2 PHE C C 0.851 -4.370 -2.516 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 8 . 1018 . 1 1 2 PHE CA C 1.828 -3.591 -1.639 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 8 . 1019 . 1 1 2 PHE CB C 2.168 -4.405 -0.389 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 8 . 1020 . 1 1 2 PHE CD1 C 4.612 -3.842 -0.306 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 8 . 1021 . 1 1 2 PHE CD2 C 3.975 -6.139 -0.233 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 8 . 1022 . 1 1 2 PHE CE1 C 5.943 -4.206 -0.233 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 8 . 1023 . 1 1 2 PHE CE2 C 5.304 -6.509 -0.159 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 8 . 1024 . 1 1 2 PHE CG C 3.614 -4.803 -0.308 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 8 . 1025 . 1 1 2 PHE CZ C 6.290 -5.541 -0.157 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 8 . 1026 . 1 1 2 PHE H H 0.611 -2.250 -0.542 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 8 . 1027 . 1 1 2 PHE HA H 2.732 -3.413 -2.200 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 8 . 1028 . 1 1 2 PHE HB2 H 1.936 -3.818 0.487 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1029 . 1 1 2 PHE HB3 H 1.573 -5.306 -0.382 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1030 . 1 1 2 PHE HD1 H 4.342 -2.798 -0.364 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 8 . 1031 . 1 1 2 PHE HD2 H 3.204 -6.897 -0.233 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 8 . 1032 . 1 1 2 PHE HE1 H 6.711 -3.447 -0.232 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 8 . 1033 . 1 1 2 PHE HE2 H 5.572 -7.553 -0.100 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 8 . 1034 . 1 1 2 PHE HZ H 7.329 -5.828 -0.100 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 8 . 1035 . 1 1 2 PHE N N 1.271 -2.296 -1.265 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 8 . 1036 . 1 1 2 PHE O O 1.257 -5.172 -3.355 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 8 . 1037 . 1 1 3 GLY C C -2.143 -3.895 -4.085 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 8 . 1038 . 1 1 3 GLY CA C -1.455 -4.812 -3.092 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 8 . 1039 . 1 1 3 GLY H H -0.706 -3.475 -1.631 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 8 . 1040 . 1 1 3 GLY HA2 H -0.992 -5.625 -3.630 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 8 . 1041 . 1 1 3 GLY HA3 H -2.198 -5.215 -2.419 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 8 . 1042 . 1 1 3 GLY N N -0.440 -4.126 -2.314 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 8 . 1043 . 1 1 3 GLY O O -3.323 -4.069 -4.389 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 8 . 1044 . 1 1 4 LYS C C -2.055 -2.596 -6.939 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 8 . 1045 . 1 1 4 LYS CA C -1.948 -1.965 -5.555 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 8 . 1046 . 1 1 4 LYS CB C -1.070 -0.713 -5.621 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 8 . 1047 . 1 1 4 LYS CD C -0.321 -0.103 -7.939 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 8 . 1048 . 1 1 4 LYS CE C 0.518 1.133 -8.224 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 8 . 1049 . 1 1 4 LYS CG C -1.337 0.154 -6.839 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 8 . 1050 . 1 1 4 LYS H H -0.468 -2.826 -4.310 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 8 . 1051 . 1 1 4 LYS HA H -2.936 -1.684 -5.223 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 8 . 1052 . 1 1 4 LYS HB2 H -1.246 -0.118 -4.736 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1053 . 1 1 4 LYS HB3 H -0.033 -1.016 -5.640 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1054 . 1 1 4 LYS HD2 H 0.333 -0.905 -7.633 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 8 . 1055 . 1 1 4 LYS HD3 H -0.845 -0.388 -8.841 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 8 . 1056 . 1 1 4 LYS HE2 H -0.044 2.008 -7.932 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 8 . 1057 . 1 1 4 LYS HE3 H 1.425 1.078 -7.641 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 8 . 1058 . 1 1 4 LYS HG2 H -2.324 -0.066 -7.217 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 8 . 1059 . 1 1 4 LYS HG3 H -1.284 1.194 -6.548 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 8 . 1060 . 1 1 4 LYS HZ1 H 1.286 0.350 -10.001 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 8 . 1061 . 1 1 4 LYS HZ2 H 1.564 2.008 -9.806 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 8 . 1062 . 1 1 4 LYS HZ3 H 0.023 1.453 -10.228 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 8 . 1063 . 1 1 4 LYS N N -1.404 -2.914 -4.591 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 8 . 1064 . 1 1 4 LYS NZ N 0.873 1.243 -9.666 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 8 . 1065 . 1 1 4 LYS O O -2.890 -2.198 -7.751 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 8 . 1066 . 1 1 5 ASN C C -1.635 -5.728 -8.326 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 8 . 1067 . 1 1 5 ASN CA C -1.207 -4.272 -8.487 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 8 . 1068 . 1 1 5 ASN CB C 0.182 -4.205 -9.125 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 8 . 1069 . 1 1 5 ASN CG C 1.266 -4.736 -8.208 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 8 . 1070 . 1 1 5 ASN H H -0.564 -3.858 -6.514 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 8 . 1071 . 1 1 5 ASN HA H -1.913 -3.770 -9.131 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 8 . 1072 . 1 1 5 ASN HB2 H 0.184 -4.794 -10.031 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1073 . 1 1 5 ASN HB3 H 0.412 -3.179 -9.368 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1074 . 1 1 5 ASN HD21 H 2.357 -3.101 -8.508 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 8 . 1075 . 1 1 5 ASN HD22 H 3.047 -4.280 -7.450 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 8 . 1076 . 1 1 5 ASN N N -1.206 -3.585 -7.201 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 8 . 1077 . 1 1 5 ASN ND2 N 2.331 -3.960 -8.038 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 8 . 1078 . 1 1 5 ASN O O -1.263 -6.588 -9.124 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 8 . 1079 . 1 1 5 ASN OD1 O 1.148 -5.831 -7.657 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 8 . 1080 . 1 1 6 LYS C C -4.301 -7.547 -7.594 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 8 . 1081 . 1 1 6 LYS CA C -2.902 -7.346 -7.022 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 8 . 1082 . 1 1 6 LYS CB C -2.911 -7.619 -5.516 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 8 . 1083 . 1 1 6 LYS CD C -0.886 -8.514 -4.330 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 8 . 1084 . 1 1 6 LYS CE C -0.461 -9.658 -3.422 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 8 . 1085 . 1 1 6 LYS CG C -2.137 -8.863 -5.118 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 8 . 1086 . 1 1 6 LYS H H -2.683 -5.267 -6.687 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 8 . 1087 . 1 1 6 LYS HA H -2.227 -8.040 -7.500 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 8 . 1088 . 1 1 6 LYS HB2 H -2.476 -6.771 -5.006 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1089 . 1 1 6 LYS HB3 H -3.934 -7.737 -5.190 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1090 . 1 1 6 LYS HD2 H -0.083 -8.302 -5.021 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 8 . 1091 . 1 1 6 LYS HD3 H -1.083 -7.640 -3.726 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 8 . 1092 . 1 1 6 LYS HE2 H -0.393 -9.290 -2.410 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 8 . 1093 . 1 1 6 LYS HE3 H -1.209 -10.436 -3.472 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 8 . 1094 . 1 1 6 LYS HG2 H -2.770 -9.490 -4.508 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 8 . 1095 . 1 1 6 LYS HG3 H -1.851 -9.399 -6.012 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 8 . 1096 . 1 1 6 LYS HZ1 H 0.919 -11.222 -3.534 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 8 . 1097 . 1 1 6 LYS HZ2 H 1.626 -9.694 -3.366 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 8 . 1098 . 1 1 6 LYS HZ3 H 0.973 -10.164 -4.853 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 8 . 1099 . 1 1 6 LYS N N -2.420 -5.996 -7.288 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 8 . 1100 . 1 1 6 LYS NZ N 0.856 -10.225 -3.822 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 8 . 1101 . 1 1 6 LYS O O -5.069 -8.376 -7.104 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 8 . 1102 . 1 1 7 SER C C -5.846 -7.654 -10.582 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 8 . 1103 . 1 1 7 SER CA C -5.934 -6.879 -9.271 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 8 . 1104 . 1 1 7 SER CB C -6.500 -5.481 -9.529 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 8 . 1105 . 1 1 7 SER H H -3.970 -6.143 -8.978 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 8 . 1106 . 1 1 7 SER HA H -6.594 -7.406 -8.598 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 8 . 1107 . 1 1 7 SER HB2 H -7.062 -5.488 -10.450 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1108 . 1 1 7 SER HB3 H -7.150 -5.203 -8.712 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1109 . 1 1 7 SER HG H -5.710 -3.850 -10.273 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 8 . 1110 . 1 1 7 SER N N -4.626 -6.785 -8.633 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 8 . 1111 . 1 1 7 SER O O -6.771 -8.377 -10.952 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 8 . 1112 . 1 1 7 SER OG O -5.462 -4.522 -9.634 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 8 . 1113 . 1 1 8 ARG C C -4.163 -9.649 -12.326 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 8 . 1114 . 1 1 8 ARG CA C -4.515 -8.181 -12.550 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 8 . 1115 . 1 1 8 ARG CB C -3.404 -7.495 -13.346 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 8 . 1116 . 1 1 8 ARG CD C -2.606 -5.325 -14.333 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 8 . 1117 . 1 1 8 ARG CG C -3.816 -6.158 -13.940 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 8 . 1118 . 1 1 8 ARG CZ C -2.074 -2.985 -14.866 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 8 . 1119 . 1 1 8 ARG H H -4.024 -6.908 -10.933 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 8 . 1120 . 1 1 8 ARG HA H -5.435 -8.126 -13.113 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 8 . 1121 . 1 1 8 ARG HB2 H -2.560 -7.328 -12.692 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 8 . 1122 . 1 1 8 ARG HB3 H -3.101 -8.145 -14.153 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 8 . 1123 . 1 1 8 ARG HD2 H -1.834 -5.464 -13.591 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 8 . 1124 . 1 1 8 ARG HD3 H -2.248 -5.667 -15.293 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 8 . 1125 . 1 1 8 ARG HE H -3.820 -3.620 -14.141 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 8 . 1126 . 1 1 8 ARG HG2 H -4.418 -6.336 -14.819 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 8 . 1127 . 1 1 8 ARG HG3 H -4.395 -5.613 -13.209 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 8 . 1128 . 1 1 8 ARG HH11 H -0.580 -4.298 -15.218 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 8 . 1129 . 1 1 8 ARG HH12 H -0.218 -2.645 -15.590 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 8 . 1130 . 1 1 8 ARG HH21 H -3.356 -1.440 -14.626 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 8 . 1131 . 1 1 8 ARG HH22 H -1.797 -1.020 -15.252 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 8 . 1132 . 1 1 8 ARG N N -4.726 -7.498 -11.280 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 8 . 1133 . 1 1 8 ARG NE N -2.926 -3.903 -14.424 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 8 . 1134 . 1 1 8 ARG NH1 N -0.857 -3.338 -15.256 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 8 . 1135 . 1 1 8 ARG NH2 N -2.439 -1.711 -14.919 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 8 . 1136 . 1 1 8 ARG O O -3.642 -10.019 -11.274 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 9 . 1137 . 1 1 1 LYS C C 1.127 -1.056 -1.197 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 9 . 1138 . 1 1 1 LYS CA C 0.504 -0.507 0.082 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 9 . 1139 . 1 1 1 LYS CB C 1.156 0.828 0.448 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 9 . 1140 . 1 1 1 LYS CD C 3.262 1.925 1.267 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 9 . 1141 . 1 1 1 LYS CE C 4.719 1.667 1.619 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 9 . 1142 . 1 1 1 LYS CG C 2.674 0.781 0.458 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 9 . 1143 . 1 1 1 LYS H1 H 1.542 -1.767 1.429 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 9 . 1144 . 1 1 1 LYS HA H -0.551 -0.349 -0.085 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 9 . 1145 . 1 1 1 LYS HB2 H 0.844 1.575 -0.267 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1146 . 1 1 1 LYS HB3 H 0.819 1.122 1.432 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1147 . 1 1 1 LYS HD2 H 3.199 2.834 0.689 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 9 . 1148 . 1 1 1 LYS HD3 H 2.694 2.037 2.181 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 9 . 1149 . 1 1 1 LYS HE2 H 5.212 1.235 0.762 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 9 . 1150 . 1 1 1 LYS HE3 H 5.188 2.608 1.867 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 9 . 1151 . 1 1 1 LYS HG2 H 2.993 -0.154 0.893 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 9 . 1152 . 1 1 1 LYS HG3 H 3.034 0.849 -0.559 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 9 . 1153 . 1 1 1 LYS HZ1 H 5.850 0.678 3.071 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 9 . 1154 . 1 1 1 LYS HZ2 H 4.523 -0.211 2.512 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 9 . 1155 . 1 1 1 LYS HZ3 H 4.287 1.082 3.577 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 9 . 1156 . 1 1 1 LYS N N 0.646 -1.457 1.179 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 9 . 1157 . 1 1 1 LYS NZ N 4.855 0.739 2.776 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 9 . 1158 . 1 1 1 LYS O O 1.571 -0.296 -2.059 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 9 . 1159 . 1 1 2 PHE C C 0.670 -3.857 -3.218 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 9 . 1160 . 1 1 2 PHE CA C 1.725 -3.029 -2.490 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 9 . 1161 . 1 1 2 PHE CB C 2.901 -3.921 -2.087 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 9 . 1162 . 1 1 2 PHE CD1 C 4.648 -2.164 -1.691 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 9 . 1163 . 1 1 2 PHE CD2 C 4.105 -3.645 0.097 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 9 . 1164 . 1 1 2 PHE CE1 C 5.572 -1.525 -0.886 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 9 . 1165 . 1 1 2 PHE CE2 C 5.028 -3.009 0.907 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 9 . 1166 . 1 1 2 PHE CG C 3.905 -3.229 -1.209 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 9 . 1167 . 1 1 2 PHE CZ C 5.763 -1.949 0.415 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 9 . 1168 . 1 1 2 PHE H H 0.787 -2.931 -0.595 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 9 . 1169 . 1 1 2 PHE HA H 2.082 -2.257 -3.155 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 9 . 1170 . 1 1 2 PHE HB2 H 2.525 -4.778 -1.548 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1171 . 1 1 2 PHE HB3 H 3.412 -4.256 -2.977 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1172 . 1 1 2 PHE HD1 H 4.500 -1.831 -2.709 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 9 . 1173 . 1 1 2 PHE HD2 H 3.532 -4.474 0.484 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 9 . 1174 . 1 1 2 PHE HE1 H 6.145 -0.696 -1.275 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 9 . 1175 . 1 1 2 PHE HE2 H 5.175 -3.343 1.923 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 9 . 1176 . 1 1 2 PHE HZ H 6.484 -1.451 1.045 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 9 . 1177 . 1 1 2 PHE N N 1.157 -2.379 -1.315 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 9 . 1178 . 1 1 2 PHE O O 0.974 -4.900 -3.796 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 9 . 1179 . 1 1 3 GLY C C -1.984 -3.513 -5.202 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 9 . 1180 . 1 1 3 GLY CA C -1.654 -4.093 -3.841 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 9 . 1181 . 1 1 3 GLY H H -0.756 -2.548 -2.706 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 9 . 1182 . 1 1 3 GLY HA2 H -1.371 -5.128 -3.962 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 9 . 1183 . 1 1 3 GLY HA3 H -2.535 -4.042 -3.218 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 9 . 1184 . 1 1 3 GLY N N -0.572 -3.385 -3.183 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 9 . 1185 . 1 1 3 GLY O O -3.104 -3.659 -5.693 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 9 . 1186 . 1 1 4 LYS C C -1.169 -3.303 -8.224 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 9 . 1187 . 1 1 4 LYS CA C -1.199 -2.245 -7.126 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 9 . 1188 . 1 1 4 LYS CB C -0.118 -1.193 -7.387 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 9 . 1189 . 1 1 4 LYS CD C 1.123 -1.511 -9.547 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 9 . 1190 . 1 1 4 LYS CE C 2.197 -0.545 -10.025 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 9 . 1191 . 1 1 4 LYS CG C -0.009 -0.781 -8.845 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 9 . 1192 . 1 1 4 LYS H H -0.136 -2.768 -5.371 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 9 . 1193 . 1 1 4 LYS HA H -2.165 -1.764 -7.132 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 9 . 1194 . 1 1 4 LYS HB2 H -0.340 -0.313 -6.802 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1195 . 1 1 4 LYS HB3 H 0.837 -1.591 -7.075 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1196 . 1 1 4 LYS HD2 H 1.568 -2.215 -8.860 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 9 . 1197 . 1 1 4 LYS HD3 H 0.724 -2.042 -10.400 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 9 . 1198 . 1 1 4 LYS HE2 H 2.926 -1.094 -10.602 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 9 . 1199 . 1 1 4 LYS HE3 H 1.735 0.206 -10.649 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 9 . 1200 . 1 1 4 LYS HG2 H -0.938 -1.014 -9.346 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 9 . 1201 . 1 1 4 LYS HG3 H 0.173 0.283 -8.897 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 9 . 1202 . 1 1 4 LYS HZ1 H 2.424 1.033 -8.676 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 9 . 1203 . 1 1 4 LYS HZ2 H 3.882 0.302 -9.127 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 9 . 1204 . 1 1 4 LYS HZ3 H 2.846 -0.477 -8.041 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 9 . 1205 . 1 1 4 LYS N N -1.008 -2.851 -5.814 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 9 . 1206 . 1 1 4 LYS NZ N 2.885 0.125 -8.887 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 9 . 1207 . 1 1 4 LYS O O -1.763 -3.126 -9.286 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 9 . 1208 . 1 1 5 ASN C C -0.972 -6.776 -8.366 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 9 . 1209 . 1 1 5 ASN CA C -0.366 -5.492 -8.924 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 9 . 1210 . 1 1 5 ASN CB C 1.098 -5.727 -9.300 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 9 . 1211 . 1 1 5 ASN CG C 1.958 -6.058 -8.095 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 9 . 1212 . 1 1 5 ASN H H -0.020 -4.487 -7.094 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 9 . 1213 . 1 1 5 ASN HA H -0.914 -5.204 -9.809 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 9 . 1214 . 1 1 5 ASN HB2 H 1.157 -6.550 -9.997 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1215 . 1 1 5 ASN HB3 H 1.492 -4.837 -9.767 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1216 . 1 1 5 ASN HD21 H 2.079 -4.130 -7.621 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 9 . 1217 . 1 1 5 ASN HD22 H 2.915 -5.217 -6.569 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 9 . 1218 . 1 1 5 ASN N N -0.473 -4.404 -7.959 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 9 . 1219 . 1 1 5 ASN ND2 N 2.357 -5.031 -7.354 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 9 . 1220 . 1 1 5 ASN O O -0.488 -7.874 -8.639 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 9 . 1221 . 1 1 5 ASN OD1 O 2.259 -7.223 -7.835 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 9 . 1222 . 1 1 6 LYS C C -3.862 -8.249 -7.869 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 9 . 1223 . 1 1 6 LYS CA C -2.711 -7.777 -6.987 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 9 . 1224 . 1 1 6 LYS CB C -3.234 -7.420 -5.594 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 9 . 1225 . 1 1 6 LYS CD C -1.827 -7.680 -3.530 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 9 . 1226 . 1 1 6 LYS CE C -1.363 -8.631 -2.436 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 9 . 1227 . 1 1 6 LYS CG C -2.765 -8.370 -4.506 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 9 . 1228 . 1 1 6 LYS H H -2.376 -5.728 -7.402 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 9 . 1229 . 1 1 6 LYS HA H -1.990 -8.576 -6.898 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 9 . 1230 . 1 1 6 LYS HB2 H -2.900 -6.424 -5.342 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1231 . 1 1 6 LYS HB3 H -4.314 -7.434 -5.614 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1232 . 1 1 6 LYS HD2 H -0.962 -7.320 -4.067 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 9 . 1233 . 1 1 6 LYS HD3 H -2.343 -6.847 -3.075 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 9 . 1234 . 1 1 6 LYS HE2 H -1.962 -8.463 -1.554 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 9 . 1235 . 1 1 6 LYS HE3 H -1.502 -9.646 -2.778 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 9 . 1236 . 1 1 6 LYS HG2 H -3.625 -8.736 -3.965 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 9 . 1237 . 1 1 6 LYS HG3 H -2.246 -9.200 -4.965 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 9 . 1238 . 1 1 6 LYS HZ1 H 0.464 -7.643 -2.655 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 9 . 1239 . 1 1 6 LYS HZ2 H 0.614 -9.290 -2.297 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 9 . 1240 . 1 1 6 LYS HZ3 H 0.169 -8.198 -1.084 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 9 . 1241 . 1 1 6 LYS N N -2.036 -6.630 -7.583 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 9 . 1242 . 1 1 6 LYS NZ N 0.071 -8.425 -2.094 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 9 . 1243 . 1 1 6 LYS O O -4.000 -9.442 -8.140 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 9 . 1244 . 1 1 7 SER C C -5.371 -7.984 -10.574 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 9 . 1245 . 1 1 7 SER CA C -5.827 -7.626 -9.163 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 9 . 1246 . 1 1 7 SER CB C -6.799 -6.446 -9.214 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 9 . 1247 . 1 1 7 SER H H -4.523 -6.372 -8.063 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 9 . 1248 . 1 1 7 SER HA H -6.332 -8.478 -8.733 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 9 . 1249 . 1 1 7 SER HB2 H -6.241 -5.526 -9.293 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1250 . 1 1 7 SER HB3 H -7.444 -6.551 -10.074 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1251 . 1 1 7 SER HG H -8.196 -7.147 -8.033 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 9 . 1252 . 1 1 7 SER N N -4.686 -7.306 -8.314 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 9 . 1253 . 1 1 7 SER O O -5.715 -9.044 -11.099 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 9 . 1254 . 1 1 7 SER OG O -7.601 -6.394 -8.046 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 9 . 1255 . 1 1 8 ARG C C -3.095 -8.470 -12.560 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 9 . 1256 . 1 1 8 ARG CA C -4.091 -7.314 -12.533 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 9 . 1257 . 1 1 8 ARG CB C -3.429 -6.043 -13.067 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 9 . 1258 . 1 1 8 ARG CD C -3.735 -3.754 -14.058 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 9 . 1259 . 1 1 8 ARG CG C -4.410 -4.917 -13.347 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 9 . 1260 . 1 1 8 ARG CZ C -3.872 -2.600 -16.225 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 9 . 1261 . 1 1 8 ARG H H -4.355 -6.268 -10.712 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 9 . 1262 . 1 1 8 ARG HA H -4.931 -7.564 -13.163 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 9 . 1263 . 1 1 8 ARG HB2 H -2.710 -5.693 -12.340 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 9 . 1264 . 1 1 8 ARG HB3 H -2.913 -6.280 -13.986 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 9 . 1265 . 1 1 8 ARG HD2 H -3.783 -2.883 -13.422 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 9 . 1266 . 1 1 8 ARG HD3 H -2.702 -4.011 -14.239 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 9 . 1267 . 1 1 8 ARG HE H -5.227 -3.890 -15.533 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 9 . 1268 . 1 1 8 ARG HG2 H -5.207 -5.293 -13.972 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 9 . 1269 . 1 1 8 ARG HG3 H -4.818 -4.567 -12.411 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 9 . 1270 . 1 1 8 ARG HH11 H -2.236 -2.155 -15.126 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 9 . 1271 . 1 1 8 ARG HH12 H -2.345 -1.348 -16.656 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 9 . 1272 . 1 1 8 ARG HH21 H -5.382 -2.834 -17.548 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 9 . 1273 . 1 1 8 ARG HH22 H -4.135 -1.734 -18.032 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 9 . 1274 . 1 1 8 ARG N N -4.594 -7.094 -11.182 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 9 . 1275 . 1 1 8 ARG NE N -4.377 -3.445 -15.333 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 9 . 1276 . 1 1 8 ARG NH1 N -2.724 -1.983 -15.982 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 9 . 1277 . 1 1 8 ARG NH2 N -4.516 -2.370 -17.362 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 9 . 1278 . 1 1 8 ARG O O -3.149 -9.368 -11.719 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 . 10 . 1279 . 1 1 1 LYS C C 1.524 -1.524 -0.400 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c19470_2md3 1 . 10 . 1280 . 1 1 1 LYS CA C 0.834 -0.815 0.762 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c19470_2md3 1 . 10 . 1281 . 1 1 1 LYS CB C 1.321 0.633 0.850 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c19470_2md3 1 . 10 . 1282 . 1 1 1 LYS CD C 3.101 2.031 1.939 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c19470_2md3 1 . 10 . 1283 . 1 1 1 LYS CE C 3.500 3.169 1.013 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c19470_2md3 1 . 10 . 1284 . 1 1 1 LYS CG C 2.802 0.759 1.163 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c19470_2md3 1 . 10 . 1285 . 1 1 1 LYS H1 H 1.998 -1.802 2.229 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c19470_2md3 1 . 10 . 1286 . 1 1 1 LYS HA H -0.231 -0.818 0.588 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c19470_2md3 1 . 10 . 1287 . 1 1 1 LYS HB2 H 1.130 1.123 -0.093 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1288 . 1 1 1 LYS HB3 H 0.766 1.139 1.627 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1289 . 1 1 1 LYS HD2 H 2.220 2.322 2.490 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c19470_2md3 1 . 10 . 1290 . 1 1 1 LYS HD3 H 3.912 1.838 2.628 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c19470_2md3 1 . 10 . 1291 . 1 1 1 LYS HE2 H 4.570 3.297 1.060 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c19470_2md3 1 . 10 . 1292 . 1 1 1 LYS HE3 H 3.212 2.911 0.004 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c19470_2md3 1 . 10 . 1293 . 1 1 1 LYS HG2 H 3.110 -0.091 1.753 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c19470_2md3 1 . 10 . 1294 . 1 1 1 LYS HG3 H 3.356 0.776 0.235 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c19470_2md3 1 . 10 . 1295 . 1 1 1 LYS HZ1 H 1.944 4.557 0.877 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 10 . 1296 . 1 1 1 LYS HZ2 H 3.460 5.252 1.159 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 10 . 1297 . 1 1 1 LYS HZ3 H 2.646 4.462 2.414 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 10 . 1298 . 1 1 1 LYS N N 1.086 -1.511 2.018 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c19470_2md3 1 . 10 . 1299 . 1 1 1 LYS NZ N 2.841 4.449 1.392 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c19470_2md3 1 . 10 . 1300 . 1 1 1 LYS O O 2.040 -0.881 -1.314 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c19470_2md3 1 . 10 . 1301 . 1 1 2 PHE C C 1.104 -4.413 -2.209 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c19470_2md3 1 . 10 . 1302 . 1 1 2 PHE CA C 2.153 -3.648 -1.407 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c19470_2md3 1 . 10 . 1303 . 1 1 2 PHE CB C 3.162 -4.626 -0.802 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c19470_2md3 1 . 10 . 1304 . 1 1 2 PHE CD1 C 5.418 -3.527 -0.765 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c19470_2md3 1 . 10 . 1305 . 1 1 2 PHE CD2 C 4.227 -3.739 1.290 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c19470_2md3 1 . 10 . 1306 . 1 1 2 PHE CE1 C 6.458 -2.906 -0.101 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c19470_2md3 1 . 10 . 1307 . 1 1 2 PHE CE2 C 5.265 -3.119 1.959 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c19470_2md3 1 . 10 . 1308 . 1 1 2 PHE CG C 4.292 -3.951 -0.078 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c19470_2md3 1 . 10 . 1309 . 1 1 2 PHE CZ C 6.382 -2.700 1.262 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c19470_2md3 1 . 10 . 1310 . 1 1 2 PHE H H 1.100 -3.308 0.397 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c19470_2md3 1 . 10 . 1311 . 1 1 2 PHE HA H 2.673 -2.973 -2.070 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c19470_2md3 1 . 10 . 1312 . 1 1 2 PHE HB2 H 2.654 -5.267 -0.098 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1313 . 1 1 2 PHE HB3 H 3.586 -5.230 -1.591 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1314 . 1 1 2 PHE HD1 H 5.479 -3.686 -1.832 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c19470_2md3 1 . 10 . 1315 . 1 1 2 PHE HD2 H 3.354 -4.066 1.836 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c19470_2md3 1 . 10 . 1316 . 1 1 2 PHE HE1 H 7.330 -2.579 -0.649 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c19470_2md3 1 . 10 . 1317 . 1 1 2 PHE HE2 H 5.202 -2.960 3.026 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c19470_2md3 1 . 10 . 1318 . 1 1 2 PHE HZ H 7.194 -2.216 1.783 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c19470_2md3 1 . 10 . 1319 . 1 1 2 PHE N N 1.528 -2.852 -0.358 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c19470_2md3 1 . 10 . 1320 . 1 1 2 PHE O O 1.379 -5.483 -2.751 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c19470_2md3 1 . 10 . 1321 . 1 1 3 GLY C C -1.557 -3.737 -4.266 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c19470_2md3 1 . 10 . 1322 . 1 1 3 GLY CA C -1.174 -4.500 -3.013 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c19470_2md3 1 . 10 . 1323 . 1 1 3 GLY H H -0.263 -3.002 -1.825 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c19470_2md3 1 . 10 . 1324 . 1 1 3 GLY HA2 H -0.860 -5.494 -3.292 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c19470_2md3 1 . 10 . 1325 . 1 1 3 GLY HA3 H -2.041 -4.573 -2.372 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c19470_2md3 1 . 10 . 1326 . 1 1 3 GLY N N -0.101 -3.857 -2.278 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c19470_2md3 1 . 10 . 1327 . 1 1 3 GLY O O -2.710 -3.773 -4.697 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c19470_2md3 1 . 10 . 1328 . 1 1 4 LYS C C -0.914 -3.175 -7.285 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . c19470_2md3 1 . 10 . 1329 . 1 1 4 LYS CA C -0.828 -2.265 -6.063 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . c19470_2md3 1 . 10 . 1330 . 1 1 4 LYS CB C 0.284 -1.232 -6.260 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . c19470_2md3 1 . 10 . 1331 . 1 1 4 LYS CD C 1.378 -1.317 -8.519 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . c19470_2md3 1 . 10 . 1332 . 1 1 4 LYS CE C 2.472 -0.343 -8.929 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . c19470_2md3 1 . 10 . 1333 . 1 1 4 LYS CG C 0.324 -0.641 -7.659 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . c19470_2md3 1 . 10 . 1334 . 1 1 4 LYS H H 0.311 -3.051 -4.461 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . c19470_2md3 1 . 10 . 1335 . 1 1 4 LYS HA H -1.770 -1.750 -5.946 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . c19470_2md3 1 . 10 . 1336 . 1 1 4 LYS HB2 H 0.139 -0.426 -5.555 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1337 . 1 1 4 LYS HB3 H 1.236 -1.704 -6.063 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1338 . 1 1 4 LYS HD2 H 1.824 -2.126 -7.959 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . c19470_2md3 1 . 10 . 1339 . 1 1 4 LYS HD3 H 0.907 -1.710 -9.409 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . c19470_2md3 1 . 10 . 1340 . 1 1 4 LYS HE2 H 2.779 -0.570 -9.938 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . c19470_2md3 1 . 10 . 1341 . 1 1 4 LYS HE3 H 2.075 0.660 -8.891 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . c19470_2md3 1 . 10 . 1342 . 1 1 4 LYS HG2 H -0.642 -0.772 -8.123 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . c19470_2md3 1 . 10 . 1343 . 1 1 4 LYS HG3 H 0.552 0.413 -7.588 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . c19470_2md3 1 . 10 . 1344 . 1 1 4 LYS HZ1 H 4.525 -0.213 -8.561 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 10 . 1345 . 1 1 4 LYS HZ2 H 3.736 -1.388 -7.635 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 10 . 1346 . 1 1 4 LYS HZ3 H 3.563 0.249 -7.249 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 10 . 1347 . 1 1 4 LYS N N -0.588 -3.041 -4.852 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . c19470_2md3 1 . 10 . 1348 . 1 1 4 LYS NZ N 3.657 -0.430 -8.031 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . c19470_2md3 1 . 10 . 1349 . 1 1 4 LYS O O -1.562 -2.840 -8.275 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . c19470_2md3 1 . 10 . 1350 . 1 1 5 ASN C C -1.214 -6.439 -8.018 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c19470_2md3 1 . 10 . 1351 . 1 1 5 ASN CA C -0.259 -5.285 -8.305 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c19470_2md3 1 . 10 . 1352 . 1 1 5 ASN CB C 1.153 -5.825 -8.543 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c19470_2md3 1 . 10 . 1353 . 1 1 5 ASN CG C 2.018 -4.856 -9.325 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c19470_2md3 1 . 10 . 1354 . 1 1 5 ASN H H 0.244 -4.538 -6.389 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c19470_2md3 1 . 10 . 1355 . 1 1 5 ASN HA H -0.591 -4.770 -9.193 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c19470_2md3 1 . 10 . 1356 . 1 1 5 ASN HB2 H 1.626 -6.010 -7.589 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1357 . 1 1 5 ASN HB3 H 1.091 -6.750 -9.095 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1358 . 1 1 5 ASN HD21 H 3.372 -4.848 -7.868 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c19470_2md3 1 . 10 . 1359 . 1 1 5 ASN HD22 H 3.734 -3.856 -9.236 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c19470_2md3 1 . 10 . 1360 . 1 1 5 ASN N N -0.256 -4.327 -7.206 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c19470_2md3 1 . 10 . 1361 . 1 1 5 ASN ND2 N 3.156 -4.483 -8.752 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c19470_2md3 1 . 10 . 1362 . 1 1 5 ASN O O -1.016 -7.558 -8.494 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c19470_2md3 1 . 10 . 1363 . 1 1 5 ASN OD1 O 1.667 -4.448 -10.433 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c19470_2md3 1 . 10 . 1364 . 1 1 6 LYS C C -4.604 -6.831 -7.484 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19470_2md3 1 . 10 . 1365 . 1 1 6 LYS CA C -3.242 -7.173 -6.888 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19470_2md3 1 . 10 . 1366 . 1 1 6 LYS CB C -3.356 -7.301 -5.368 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19470_2md3 1 . 10 . 1367 . 1 1 6 LYS CD C -1.446 -8.927 -5.228 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19470_2md3 1 . 10 . 1368 . 1 1 6 LYS CE C -0.326 -9.442 -4.337 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19470_2md3 1 . 10 . 1369 . 1 1 6 LYS CG C -2.041 -7.638 -4.686 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19470_2md3 1 . 10 . 1370 . 1 1 6 LYS H H -2.358 -5.249 -6.890 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19470_2md3 1 . 10 . 1371 . 1 1 6 LYS HA H -2.910 -8.115 -7.297 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19470_2md3 1 . 10 . 1372 . 1 1 6 LYS HB2 H -3.716 -6.365 -4.966 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1373 . 1 1 6 LYS HB3 H -4.067 -8.080 -5.136 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1374 . 1 1 6 LYS HD2 H -2.221 -9.676 -5.281 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19470_2md3 1 . 10 . 1375 . 1 1 6 LYS HD3 H -1.052 -8.743 -6.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19470_2md3 1 . 10 . 1376 . 1 1 6 LYS HE2 H -0.395 -8.955 -3.376 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19470_2md3 1 . 10 . 1377 . 1 1 6 LYS HE3 H -0.446 -10.507 -4.210 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19470_2md3 1 . 10 . 1378 . 1 1 6 LYS HG2 H -1.341 -6.833 -4.854 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19470_2md3 1 . 10 . 1379 . 1 1 6 LYS HG3 H -2.215 -7.750 -3.625 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19470_2md3 1 . 10 . 1380 . 1 1 6 LYS HZ1 H 1.721 -9.063 -4.165 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19470_2md3 1 . 10 . 1381 . 1 1 6 LYS HZ2 H 0.991 -8.298 -5.486 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19470_2md3 1 . 10 . 1382 . 1 1 6 LYS HZ3 H 1.303 -9.959 -5.537 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19470_2md3 1 . 10 . 1383 . 1 1 6 LYS N N -2.253 -6.160 -7.238 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19470_2md3 1 . 10 . 1384 . 1 1 6 LYS NZ N 1.017 -9.172 -4.922 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19470_2md3 1 . 10 . 1385 . 1 1 6 LYS O O -5.642 -7.206 -6.938 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19470_2md3 1 . 10 . 1386 . 1 1 7 SER C C -6.046 -6.547 -10.542 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c19470_2md3 1 . 10 . 1387 . 1 1 7 SER CA C -5.828 -5.726 -9.274 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c19470_2md3 1 . 10 . 1388 . 1 1 7 SER CB C -5.795 -4.235 -9.617 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c19470_2md3 1 . 10 . 1389 . 1 1 7 SER H H -3.733 -5.851 -8.993 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c19470_2md3 1 . 10 . 1390 . 1 1 7 SER HA H -6.646 -5.912 -8.594 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c19470_2md3 1 . 10 . 1391 . 1 1 7 SER HB2 H -5.319 -4.100 -10.577 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1392 . 1 1 7 SER HB3 H -6.805 -3.856 -9.660 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1393 . 1 1 7 SER HG H -5.515 -3.577 -7.793 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c19470_2md3 1 . 10 . 1394 . 1 1 7 SER N N -4.593 -6.120 -8.606 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c19470_2md3 1 . 10 . 1395 . 1 1 7 SER O O -7.033 -7.272 -10.663 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c19470_2md3 1 . 10 . 1396 . 1 1 7 SER OG O -5.072 -3.504 -8.642 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c19470_2md3 1 . 10 . 1397 . 1 1 8 ARG C C -4.475 -8.491 -12.651 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c19470_2md3 1 . 10 . 1398 . 1 1 8 ARG CA C -5.206 -7.155 -12.743 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c19470_2md3 1 . 10 . 1399 . 1 1 8 ARG CB C -4.621 -6.319 -13.883 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c19470_2md3 1 . 10 . 1400 . 1 1 8 ARG CD C -5.699 -4.505 -15.248 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c19470_2md3 1 . 10 . 1401 . 1 1 8 ARG CG C -5.624 -6.000 -14.980 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c19470_2md3 1 . 10 . 1402 . 1 1 8 ARG CZ C -4.898 -4.223 -17.555 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c19470_2md3 1 . 10 . 1403 . 1 1 8 ARG H H -4.352 -5.832 -11.329 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c19470_2md3 1 . 10 . 1404 . 1 1 8 ARG HA H -6.250 -7.342 -12.945 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c19470_2md3 1 . 10 . 1405 . 1 1 8 ARG HB2 H -4.254 -5.387 -13.480 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c19470_2md3 1 . 10 . 1406 . 1 1 8 ARG HB3 H -3.798 -6.860 -14.325 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c19470_2md3 1 . 10 . 1407 . 1 1 8 ARG HD2 H -6.531 -4.095 -14.694 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c19470_2md3 1 . 10 . 1408 . 1 1 8 ARG HD3 H -4.782 -4.046 -14.912 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c19470_2md3 1 . 10 . 1409 . 1 1 8 ARG HE H -6.791 -3.996 -16.971 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c19470_2md3 1 . 10 . 1410 . 1 1 8 ARG HG2 H -5.323 -6.502 -15.888 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c19470_2md3 1 . 10 . 1411 . 1 1 8 ARG HG3 H -6.599 -6.353 -14.678 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c19470_2md3 1 . 10 . 1412 . 1 1 8 ARG HH11 H -3.471 -4.723 -16.214 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c19470_2md3 1 . 10 . 1413 . 1 1 8 ARG HH12 H -2.920 -4.521 -17.844 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c19470_2md3 1 . 10 . 1414 . 1 1 8 ARG HH21 H -6.077 -3.728 -19.120 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c19470_2md3 1 . 10 . 1415 . 1 1 8 ARG HH22 H -4.402 -3.954 -19.496 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c19470_2md3 1 . 10 . 1416 . 1 1 8 ARG N N -5.116 -6.426 -11.484 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c19470_2md3 1 . 10 . 1417 . 1 1 8 ARG NE N -5.885 -4.212 -16.667 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c19470_2md3 1 . 10 . 1418 . 1 1 8 ARG NH1 N -3.661 -4.512 -17.173 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c19470_2md3 1 . 10 . 1419 . 1 1 8 ARG NH2 N -5.146 -3.946 -18.829 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c19470_2md3 1 . 10 . 1420 . 1 1 8 ARG O O -4.165 -9.112 -13.668 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c19470_2md3 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c19470_2md3 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2md3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19470_2md3 1 1 2md3.mr . . DYANA/DIANA 2 distance NOE simple 33 c19470_2md3 1 1 2md3.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 14 c19470_2md3 1 1 2md3.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19470_2md3 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c19470_2md3 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c19470_2md3 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 1 1 LYS H1 H . . . 1 1 1 1 LYS HB2 H . . . . . . . 3.3 . . . . . A . 1 LYS H1 . . A . 1 LYS HB2 . . . 1 LYS H . . . . . 1 LYS QB . . c19470_2md3 1 1 2 OR . 1 1 1 1 LYS HB3 H . . . 1 1 1 1 LYS H1 H . . . . . . . 3.3 . . . . . A . 1 LYS HB3 . . A . 1 LYS H1 . . . 1 LYS QB . . . . . 1 LYS H . . c19470_2md3 1 2 1 OR . 1 1 1 1 LYS H1 H . . . 1 1 1 1 LYS HG2 H . . . . . . . 3.8 . . . . . A . 1 LYS H1 . . A . 1 LYS HG2 . . . 1 LYS H . . . . . 1 LYS QG . . c19470_2md3 1 2 2 OR . 1 1 1 1 LYS H1 H . . . 1 1 1 1 LYS HG3 H . . . . . . . 3.8 . . . . . A . 1 LYS H1 . . A . 1 LYS HG3 . . . 1 LYS H . . . . . 1 LYS QG . . c19470_2md3 1 3 1 OR . 1 1 1 1 LYS H1 H . . . 1 1 1 1 LYS HD2 H . . . . . . . 4.0 . . . . . A . 1 LYS H1 . . A . 1 LYS HD2 . . . 1 LYS H . . . . . 1 LYS QD . . c19470_2md3 1 3 2 OR . 1 1 1 1 LYS H1 H . . . 1 1 1 1 LYS HD3 H . . . . . . . 4.0 . . . . . A . 1 LYS H1 . . A . 1 LYS HD3 . . . 1 LYS H . . . . . 1 LYS QD . . c19470_2md3 1 4 1 . . 1 1 1 1 LYS HA H . . . 1 1 2 2 PHE H H . . . . . . . 3.0 . . . . . A . 1 LYS HA . . A . 2 PHE H . . . 1 LYS HA . . . . . 2 PHE H . . c19470_2md3 1 5 1 OR . 1 1 2 2 PHE H H . . . 1 1 2 2 PHE HB2 H . . . . . . . 3.3 . . . . . A . 2 PHE H . . A . 2 PHE HB2 . . . 2 PHE H . . . . . 2 PHE QB . . c19470_2md3 1 5 2 OR . 1 1 2 2 PHE H H . . . 1 1 2 2 PHE HB3 H . . . . . . . 3.3 . . . . . A . 2 PHE H . . A . 2 PHE HB3 . . . 2 PHE H . . . . . 2 PHE QB . . c19470_2md3 1 6 1 . . 1 1 2 2 PHE HA H . . . 1 1 3 3 GLY H H . . . . . . . 3.5 . . . . . A . 2 PHE HA . . A . 3 GLY H . . . 2 PHE HA . . . . . 3 GLY H . . c19470_2md3 1 7 1 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HB2 H . . . . . . . 3.3 . . . . . A . 4 LYS H . . A . 4 LYS HB2 . . . 4 LYS H . . . . . 4 LYS QB . . c19470_2md3 1 7 2 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HB3 H . . . . . . . 3.3 . . . . . A . 4 LYS H . . A . 4 LYS HB3 . . . 4 LYS H . . . . . 4 LYS QB . . c19470_2md3 1 8 1 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HD2 H . . . . . . . 3.8 . . . . . A . 4 LYS H . . A . 4 LYS HD2 . . . 4 LYS H . . . . . 4 LYS QD . . c19470_2md3 1 8 2 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HD3 H . . . . . . . 3.8 . . . . . A . 4 LYS H . . A . 4 LYS HD3 . . . 4 LYS H . . . . . 4 LYS QD . . c19470_2md3 1 9 1 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HG2 H . . . . . . . 4.0 . . . . . A . 4 LYS H . . A . 4 LYS HG2 . . . 4 LYS H . . . . . 4 LYS QG . . c19470_2md3 1 9 2 OR . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HG3 H . . . . . . . 4.0 . . . . . A . 4 LYS H . . A . 4 LYS HG3 . . . 4 LYS H . . . . . 4 LYS QG . . c19470_2md3 1 10 1 . . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HA H . . . . . . . 3.3 . . . . . A . 5 ASN H . . A . 4 LYS HA . . . 5 ASN H . . . . . 4 LYS HA . . c19470_2md3 1 11 1 OR . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HB2 H . . . . . . . 3.3 . . . . . A . 5 ASN H . . A . 4 LYS HB2 . . . 5 ASN H . . . . . 4 LYS QB . . c19470_2md3 1 11 2 OR . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HB3 H . . . . . . . 3.3 . . . . . A . 5 ASN H . . A . 4 LYS HB3 . . . 5 ASN H . . . . . 4 LYS QB . . c19470_2md3 1 12 1 OR . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HD2 H . . . . . . . 3.8 . . . . . A . 5 ASN H . . A . 4 LYS HD2 . . . 5 ASN H . . . . . 4 LYS QD . . c19470_2md3 1 12 2 OR . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HD3 H . . . . . . . 3.8 . . . . . A . 5 ASN H . . A . 4 LYS HD3 . . . 5 ASN H . . . . . 4 LYS QD . . c19470_2md3 1 13 1 OR . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HG2 H . . . . . . . 4.0 . . . . . A . 5 ASN H . . A . 4 LYS HG2 . . . 5 ASN H . . . . . 4 LYS QG . . c19470_2md3 1 13 2 OR . 1 1 5 5 ASN H H . . . 1 1 4 4 LYS HG3 H . . . . . . . 4.0 . . . . . A . 5 ASN H . . A . 4 LYS HG3 . . . 5 ASN H . . . . . 4 LYS QG . . c19470_2md3 1 14 1 . . 1 1 5 5 ASN HA H . . . 1 1 6 6 LYS H H . . . . . . . 3.4 . . . . . A . 5 ASN HA . . A . 6 LYS H . . . 5 ASN HA . . . . . 6 LYS H . . c19470_2md3 1 15 1 OR . 1 1 5 5 ASN H H . . . 1 1 5 5 ASN HB2 H . . . . . . . 3.8 . . . . . A . 5 ASN H . . A . 5 ASN HB2 . . . 5 ASN H . . . . . 5 ASN QB . . c19470_2md3 1 15 2 OR . 1 1 5 5 ASN H H . . . 1 1 5 5 ASN HB3 H . . . . . . . 3.8 . . . . . A . 5 ASN H . . A . 5 ASN HB3 . . . 5 ASN H . . . . . 5 ASN QB . . c19470_2md3 1 16 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 LYS H . . . . . 6 LYS QB . . c19470_2md3 1 16 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 LYS H . . . . . 6 LYS QB . . c19470_2md3 1 17 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 LYS H . . . . . 6 LYS QD . . c19470_2md3 1 17 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD3 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 LYS H . . . . . 6 LYS QD . . c19470_2md3 1 18 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 LYS H . . . . . 6 LYS QG . . c19470_2md3 1 18 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 LYS H . . . . . 6 LYS QG . . c19470_2md3 1 19 1 . . 1 1 6 6 LYS HA H . . . 1 1 7 7 SER H H . . . . . . . 3.6 . . . . . A . 6 LYS HA . . A . 7 SER H . . . 6 LYS HA . . . . . 7 SER H . . c19470_2md3 1 20 1 . . 1 1 7 7 SER HA H . . . 1 1 8 8 ARG H H . . . . . . . 3.6 . . . . . A . 7 SER HA . . A . 8 ARG H . . . 7 SER HA . . . . . 8 ARG H . . c19470_2md3 1 21 1 OR . 1 1 7 7 SER H H . . . 1 1 7 7 SER HB2 H . . . . . . . 3.8 . . . . . A . 7 SER H . . A . 7 SER HB2 . . . 7 SER H . . . . . 7 SER QB . . c19470_2md3 1 21 2 OR . 1 1 7 7 SER H H . . . 1 1 7 7 SER HB3 H . . . . . . . 3.8 . . . . . A . 7 SER H . . A . 7 SER HB3 . . . 7 SER H . . . . . 7 SER QB . . c19470_2md3 1 22 1 . . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HA H . . . . . . . 3.8 . . . . . A . 8 ARG H . . A . 8 ARG HA . . . 8 ARG H . . . . . 8 ARG HA . . c19470_2md3 1 23 1 OR . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HB2 H . . . . . . . 3.8 . . . . . A . 8 ARG H . . A . 8 ARG HB2 . . . 8 ARG H . . . . . 8 ARG QB . . c19470_2md3 1 23 2 OR . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HB3 H . . . . . . . 3.8 . . . . . A . 8 ARG H . . A . 8 ARG HB3 . . . 8 ARG H . . . . . 8 ARG QB . . c19470_2md3 1 24 1 OR . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HD2 H . . . . . . . 4.0 . . . . . A . 8 ARG H . . A . 8 ARG HD2 . . . 8 ARG H . . . . . 8 ARG QD . . c19470_2md3 1 24 2 OR . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HD3 H . . . . . . . 4.0 . . . . . A . 8 ARG H . . A . 8 ARG HD3 . . . 8 ARG H . . . . . 8 ARG QD . . c19470_2md3 1 25 1 . . 1 1 1 1 LYS H1 H . . . 1 1 2 2 PHE H H . . . . . . . 2.8 . . . . . A . 1 LYS H1 . . A . 2 PHE H . . . 1 LYS H . . . . . 2 PHE H . . c19470_2md3 1 26 1 . . 1 1 2 2 PHE H H . . . 1 1 3 3 GLY H H . . . . . . . 2.8 . . . . . A . 2 PHE H . . A . 3 GLY H . . . 2 PHE H . . . . . 3 GLY H . . c19470_2md3 1 27 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 LYS H H . . . . . . . 2.8 . . . . . A . 3 GLY H . . A . 4 LYS H . . . 3 GLY H . . . . . 4 LYS H . . c19470_2md3 1 28 1 . . 1 1 4 4 LYS H H . . . 1 1 5 5 ASN H H . . . . . . . 2.8 . . . . . A . 4 LYS H . . A . 5 ASN H . . . 4 LYS H . . . . . 5 ASN H . . c19470_2md3 1 29 1 . . 1 1 5 5 ASN H H . . . 1 1 6 6 LYS H H . . . . . . . 2.8 . . . . . A . 5 ASN H . . A . 6 LYS H . . . 5 ASN H . . . . . 6 LYS H . . c19470_2md3 1 30 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 SER H H . . . . . . . 2.8 . . . . . A . 6 LYS H . . A . 7 SER H . . . 6 LYS H . . . . . 7 SER H . . c19470_2md3 1 31 1 . . 1 1 7 7 SER H H . . . 1 1 8 8 ARG H H . . . . . . . 2.8 . . . . . A . 7 SER H . . A . 8 ARG H . . . 7 SER H . . . . . 8 ARG H . . c19470_2md3 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c19470_2md3 1 2 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c19470_2md3 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c19470_2md3 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c19470_2md3 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PSI . 1 1 1 1 LYS N N . . 1 1 1 1 LYS CA C . . 1 1 1 1 LYS C C . . 1 1 2 2 PHE N N . -120.0 120.0 . . . A . 1 LYS N . . A . 1 LYS CA . . A . 1 LYS C . . A . 2 PHE N . . . 1 LYS . . . . . . 1 LYS . . . . . . 1 LYS . . . . . . 1 LYS . . . c19470_2md3 1 2 PHI . 1 1 1 1 LYS C C . . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . -120.0 -30.0 . . . A . 1 LYS C . . A . 2 PHE N . . A . 2 PHE CA . . A . 2 PHE C . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . c19470_2md3 1 3 PSI . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . . 1 1 3 3 GLY N N . -120.0 120.0 . . . A . 2 PHE N . . A . 2 PHE CA . . A . 2 PHE C . . A . 3 GLY N . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . c19470_2md3 1 4 PHI . 1 1 2 2 PHE C C . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . -120.0 -30.0 . . . A . 2 PHE C . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . . 3 GLY . . . . . . 3 GLY . . . . . . 3 GLY . . . . . . 3 GLY . . . c19470_2md3 1 5 PSI . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . . 1 1 4 4 LYS N N . -120.0 120.0 . . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . A . 4 LYS N . . . 3 GLY . . . . . . 3 GLY . . . . . . 3 GLY . . . . . . 3 GLY . . . c19470_2md3 1 6 PHI . 1 1 3 3 GLY C C . . 1 1 4 4 LYS N N . . 1 1 4 4 LYS CA C . . 1 1 4 4 LYS C C . -120.0 -30.0 . . . A . 3 GLY C . . A . 4 LYS N . . A . 4 LYS CA . . A . 4 LYS C . . . 4 LYS . . . . . . 4 LYS . . . . . . 4 LYS . . . . . . 4 LYS . . . c19470_2md3 1 7 PSI . 1 1 4 4 LYS N N . . 1 1 4 4 LYS CA C . . 1 1 4 4 LYS C C . . 1 1 5 5 ASN N N . -120.0 120.0 . . . A . 4 LYS N . . A . 4 LYS CA . . A . 4 LYS C . . A . 5 ASN N . . . 4 LYS . . . . . . 4 LYS . . . . . . 4 LYS . . . . . . 4 LYS . . . c19470_2md3 1 8 PHI . 1 1 4 4 LYS C C . . 1 1 5 5 ASN N N . . 1 1 5 5 ASN CA C . . 1 1 5 5 ASN C C . -120.0 -30.0 . . . A . 4 LYS C . . A . 5 ASN N . . A . 5 ASN CA . . A . 5 ASN C . . . 5 ASN . . . . . . 5 ASN . . . . . . 5 ASN . . . . . . 5 ASN . . . c19470_2md3 1 9 PSI . 1 1 5 5 ASN N N . . 1 1 5 5 ASN CA C . . 1 1 5 5 ASN C C . . 1 1 6 6 LYS N N . -120.0 120.0 . . . A . 5 ASN N . . A . 5 ASN CA . . A . 5 ASN C . . A . 6 LYS N . . . 5 ASN . . . . . . 5 ASN . . . . . . 5 ASN . . . . . . 5 ASN . . . c19470_2md3 1 10 PHI . 1 1 5 5 ASN C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -120.0 -30.0 . . . A . 5 ASN C . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . c19470_2md3 1 11 PSI . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 SER N N . -120.0 120.0 . . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . A . 7 SER N . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . c19470_2md3 1 12 PHI . 1 1 6 6 LYS C C . . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . -120.0 -30.0 . . . A . 6 LYS C . . A . 7 SER N . . A . 7 SER CA . . A . 7 SER C . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . c19470_2md3 1 13 PSI . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . . 1 1 8 8 ARG N N . -120.0 120.0 . . . A . 7 SER N . . A . 7 SER CA . . A . 7 SER C . . A . 8 ARG N . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . c19470_2md3 1 14 PHI . 1 1 7 7 SER C C . . 1 1 8 8 ARG N N . . 1 1 8 8 ARG CA C . . 1 1 8 8 ARG C C . -120.0 -30.0 . . . A . 7 SER C . . A . 8 ARG N . . A . 8 ARG CA . . A . 8 ARG C . . . 8 ARG . . . . . . 8 ARG . . . . . . 8 ARG . . . . . . 8 ARG . . . c19470_2md3 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'Torsion angle constraints' 1 1 1 28 c19470_2md3 1 2 'generated from HA secondary chemical shifts' 2 1 2 49 c19470_2md3 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c19470_2md3 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER ANTIMICROBIAL PROTEIN 29-AUG-13 2MD3 *TITLE FRAGMENT BASED APPROACH AND BINDING BEHAVIOR OF LFAMPINB WITH *TITLE 2 LIPOPOLYSACCHARIDE:BIOPHYSICAL ASPECTS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LACTOTRANSFERRIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: LACTOFERRIN, LACTOFERRICIN-B, LFCIN-B; *COMPND 5 EC: 3.4.21.-; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOS TAURUS; *SOURCE 4 ORGANISM_COMMON: BOVINE; *SOURCE 5 ORGANISM_TAXID: 9913; *SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.BHUNIA, S.CHATTERJEE, A.GHOSH, J.JANA *REVDAT 1 25-SEP-13 2MD3 0' save_